4,4-Dimethyl-1-hexene

C₈H₁₆CAS 1647-08-1112.22 g/mol

Open in Covalent MOL file

Properties

Molecular formula: C₈H₁₆
Molar mass: 112.22 g/mol
Exact mass: 112.1252 Da
logP: 3.00Crippen 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

1647-08-1

SMILES

CCC(C)(C)CC=C

InChIKey

SUJVAMIXNUAJEY-UHFFFAOYSA-N

InChI

InChI=1S/C8H16/c1-5-7-8(3,4)6-2/h5H,1,6-7H2,2-4H3

Weigh it out

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

Work with 4,4-Dimethyl-1-hexene

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

3,3-Dimethylpentane562-49-250 % similar 4,4-Dimethyl-1-pentene762-62-948 % similar 1-Butene106-98-941 % similar 2,2-Dimethyl-4-pentenal5497-67-639 % similar 2,2-Dimethyl-4-pentenoic acid16386-93-939 % similar 3,3-Dimethylheptane4032-86-437 % similar 3,3-Dimethyloctane4110-44-536 % similar (2R)-2-Amino-2-methyl-4-pentenoic acid96886-56-535 % 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

PubChem CAS Common Chemistry NIST WebBook