4-chloro-2-methylhex-3-ene

C7H13Cl — CID 91176193

IUPAC4-chloro-2-methylhex-3-ene
SMILESCCC(Cl)=CC(C)C
InChIInChI=1S/C7H13Cl/c1-4-7(8)5-6(2)3/h5-6H,4H2,1-3H3
InChIKeySTUNNZVLYXPQLO-UHFFFAOYSA-N
MW132.63 g/mol
LogP3.18
Rot. Bonds2

About 4-chloro-2-methylhex-3-ene

4-chloro-2-methylhex-3-ene (PubChem CID 91176193) has the molecular formula C7H13Cl and a molecular weight of 132.63 g/mol. Its IUPAC name is 4-chloro-2-methylhex-3-ene.

Molecular Properties

Compound Name4-chloro-2-methylhex-3-ene
PubChem CID91176193
Molecular FormulaC7H13Cl
Molecular Weight132.63 g/mol
Exact Mass132.07
IUPAC Name4-chloro-2-methylhex-3-ene
SMILESCCC(Cl)=CC(C)C
InChIInChI=1S/C7H13Cl/c1-4-7(8)5-6(2)3/h5-6H,4H2,1-3H3
InChIKeySTUNNZVLYXPQLO-UHFFFAOYSA-N
XLogP3.18
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds2
Heavy Atoms8
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500132.63
LogP ≤ 53.18
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

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Related Compounds

(Z)-2,4-dimethylhex-3-ene
CID 5463169
1-chloro-3-methylbut-1-en-1-ol
CID 141026738
CID 123272911
CID 123272911
2-ethyl-4-methylpent-2-en-1-ol
CID 79323762
(E)-1-chloro-1-fluoro-3-methylbut-1-ene
CID 23384730
(E)-2-ethyl-4-methylpent-2-enal
CID 5463085
(Z)-2-hydroxy-N,4-dimethylpent-2-enimidoyl chloride
CID 139576170
4-chloro-2,2-dimethylhex-3-ene
CID 71390179
(Z)-1-bromo-3-chloropent-2-ene
CID 131863334
(1-chloro-3-methylbut-1-enyl)-difluoroborane
CID 123860013
3-methyl(2,3-11C2)but-1-ene-1,1-diol
CID 89150203
(2E)-4-chloro-2-ethylidene-N-imino-6-methylhept-4-enamide
CID 123204961

Frequently Asked Questions

What is the IUPAC name of 4-chloro-2-methylhex-3-ene?
The IUPAC name of 4-chloro-2-methylhex-3-ene (CID 91176193) is 4-chloro-2-methylhex-3-ene.
What is the SMILES notation for 4-chloro-2-methylhex-3-ene?
The canonical SMILES for 4-chloro-2-methylhex-3-ene is CCC(Cl)=CC(C)C.
What is the InChIKey of 4-chloro-2-methylhex-3-ene?
The InChIKey is STUNNZVLYXPQLO-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H13Cl/c1-4-7(8)5-6(2)3/h5-6H,4H2,1-3H3.
What are the key properties of 4-chloro-2-methylhex-3-ene?
4-chloro-2-methylhex-3-ene has a molecular weight of 132.63 g/mol, XLogP of 3.18, 2 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 4-chloro-2-methylhex-3-ene is sourced from PubChem (CID 91176193), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).