(+)-3-Carene

C₁₀H₁₆CAS 498-15-7136.24 g/mol

Open in Covalent MOL file

Alkene

Properties

Molecular formula: C₁₀H₁₆
Molar mass: 136.24 g/mol
Exact mass: 136.1252 Da
Density: 0.8561 g/mL (at 20 °C)
Melting point: 71–72 °C
Boiling point: 167–170 °C
logP: 3.00Crippen estimate
Polar surface area: 0.0 Å²
H-bond donors / acceptors: 0 / 0
Rotatable bonds: 0
Stereocentres: R, Sin SMILES atom order

Hazards

Danger

H226 Flammable liquid and vapor100% of notifiers
H304 May be fatal if swallowed and enters airways50% of notifiers
H315 Causes skin irritation50% of notifiers
H317 May cause an allergic skin reaction100% of notifiers
H332 Harmful if inhaled19.7% of notifiers
H400 Very toxic to aquatic life100% of notifiers
H410 Very toxic to aquatic life with long lasting effects98.7% of notifiers

Aggregated from 76 ECHA notifications, via PubChem; a share says how many notifiers assign that statement.

Precautionary statements

P210, P233, P240, P241, P242, P243, P261, P264, P271, P272, P273, P280, P301+P316, P302+P352, P303+P361+P353, P304+P340, P317, P321, P331, P332+P317, P333+P317, P362+P364, P370+P378, P391, P403+P235, P405, P501

Identifiers

CAS number

498-15-7

SMILES

CC1=CC[C@@H]2[C@H](C1)C2(C)C

InChIKey

BQOFWKZOCNGFEC-BDAKNGLRSA-N

InChI

InChI=1S/C10H16/c1-7-4-5-8-9(6-7)10(8,2)3/h4,8-9H,5-6H2,1-3H3/t8-,9+/m1/s1

Weigh it out

Type any one amount. The others follow from the molar mass and density.

Names and synonyms

11 names

Bicyclo[4.1.0]hept-3-ene, 3,7,7-trimethyl-, (1S,6R)-
3-Carene, (1S,6R)-(+)-
Bicyclo[4.1.0]hept-3-ene, 3,7,7-trimethyl-, (1S)-
(1S,6R)-3,7,7-Trimethylbicyclo[4.1.0]hept-3-ene
Isodiprene
(+)-Carene-3
(1S,6R)-3-Carene
(S)-(+)-3-Carene
(+)-δ3-Carene
(1S)-(+)-3-Carene
(1S)-3-Carene

Work with (+)-3-Carene

Predict the NMR spectrum1H and 13C shifts with multiplicities Make a solutionWhat to weigh for any molarity and volume Check drug-likenessLipinski, Veber and lead-likeness Boiling point under vacuumAt any pressure, from its normal boiling point Isotope patternExact mass and the mass spectrum pattern

Stereoisomers, salts and isotopologues

The same compound in another form: other stereochemistry, a salt or hydrate, the free acid or base, or an isotope-labelled version.

3-Carene13466-78-9Stereo not defined

Similar compounds

(-)-α-Pinene7785-26-436 % similar (1R)-α-Pinene7785-70-836 % similar α-Pinene80-56-836 % similar Isomethyltetrahydrophthalic anhydride3425-89-636 % similar Grapefruit mercaptan71159-90-536 % similar (-)-α-Terpineol10482-56-135 % similar Terpineol98-55-535 % similar 6,6-Dimethyl-3-azabicyclo[3.1.0]hexane boceprevir key intermediate943516-54-931 % similar

Tanimoto similarity of circular fingerprints over the whole catalogue. All similar compounds

Same formula

Myrcene123-35-3 β-Pinene127-91-3 β-Ocimene13877-91-3 1-Methyl-4-prop-1-en-2-ylcyclohexene138-86-3 (-)-Beta-Pinene18172-67-3 (+-)-Alpha-Pinene2437-95-8 Adamantane281-23-2

Elsewhere

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