2,6-Dimethyl-3-heptene

C₉H₁₈CAS 2738-18-3126.24 g/mol

Open in Covalent MOL file

Properties

Molecular formula: C₉H₁₈
Molar mass: 126.24 g/mol
Exact mass: 126.1409 Da
logP: 3.24Crippen estimate
Polar surface area: 0.0 Å²
H-bond donors / acceptors: 0 / 0
Rotatable bonds: 3

Hazards

Danger

H225 Highly Flammable liquid and vapor100% of notifiers
H304 May be fatal if swallowed and enters airways100% of notifiers

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

Precautionary statements

P210, P233, P240, P241, P242, P243, P280, P301+P316, P303+P361+P353, P331, P370+P378, P403+P235, P405, P501

Identifiers

CAS number

2738-18-3

SMILES

CC(C)C=CCC(C)C

InChIKey

KDISTZUHDQPXDE-UHFFFAOYSA-N

InChI

InChI=1S/C9H18/c1-8(2)6-5-7-9(3)4/h5-6,8-9H,7H2,1-4H3

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

Names and synonyms

1 names

3-Heptene, 2,6-dimethyl-

Work with 2,6-Dimethyl-3-heptene

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 Isotope patternExact mass and the mass spectrum pattern

Similar compounds

Isovaleraldehyde590-86-339 % similar 4-Methyl-1-pentene691-37-239 % similar cis-4-Methyl-2-pentene691-38-338 % similar 2-Isopropyl-5-methyl-2-hexenal35158-25-933 % similar 2,4-Dimethylpentane108-08-730 % similar 2,5-Dimethylhexane592-13-230 % similar

Tanimoto similarity of circular fingerprints over the whole catalogue.

All similar compounds

Same formula

1-Nonene124-11-8 Propylcyclohexane1678-92-8 1,3,5-Trimethylcyclohexane1839-63-0 (3E)-3-Nonene20063-92-7 Butylcyclopentane2040-95-1 4-Nonene2198-23-4 1,2,4-Trimethylcyclohexane2234-75-5 3,3,5-Trimethylcyclohexane3073-66-3

Elsewhere

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