2-Methyl-1-heptene

C₈H₁₆CAS 15870-10-7112.22 g/mol

Open in Covalent MOL file

Properties

Molecular formula: C₈H₁₆
Molar mass: 112.22 g/mol
Exact mass: 112.1252 Da
Density: 0.7202 g/mL (at 20 °C)
Melting point: −90 °C
Boiling point: 119.3 °C
logP: 3.14Crippen estimate
Polar surface area: 0.0 Å²
H-bond donors / acceptors: 0 / 0
Rotatable bonds: 4

Hazards

Danger

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

Aggregated from 144 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

15870-10-7

SMILES

C=C(C)CCCCC

InChIKey

RCBGGJURENJHKV-UHFFFAOYSA-N

InChI

InChI=1S/C8H16/c1-4-5-6-7-8(2)3/h2,4-7H2,1,3H3

Weigh it out

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

Names and synonyms

2 names

1-Heptene, 2-methyl-
NSC 73949

Work with 2-Methyl-1-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 Boiling point under vacuumAt any pressure, from its normal boiling point Isotope patternExact mass and the mass spectrum pattern

Similar compounds

2-Methyl-1-hexene6094-02-685 % similar 2-Methyl-1-pentene763-29-167 % similar 2,5-Dimethyl-1,5-hexadiene627-58-755 % similar 2-Heptanone110-43-046 % similar 2-Ethyl-1-hexene1632-16-246 % similar 2-Octanone111-13-744 % similar 2-Undecanone112-12-944 % similar 2-Tetradecanone2345-27-944 % similar

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

Same formula

2,4,4-Trimethyl-1-pentene107-39-1 2,4,4-Trimethyl-2-pentene107-40-4 Isooctene11071-47-9 1-Octene111-66-0 2-Octene111-67-1 2-Octene13389-42-9 trans-4-Octene14850-23-8 trans-3-Octene14919-01-8

Elsewhere

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