3-chloro-2-methylhex-2-ene

C7H13Cl — CID 22613996

IUPAC3-chloro-2-methylhex-2-ene
SMILESCCCC(Cl)=C(C)C
InChIInChI=1S/C7H13Cl/c1-4-5-7(8)6(2)3/h4-5H2,1-3H3
InChIKeyKTLLIJHNXKLGFO-UHFFFAOYSA-N
MW132.63 g/mol
LogP3.32
Rot. Bonds2

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

3-chloro-2-methylhex-2-ene (PubChem CID 22613996) has the molecular formula C7H13Cl and a molecular weight of 132.63 g/mol. Its IUPAC name is 3-chloro-2-methylhex-2-ene.

Molecular Properties

Compound Name3-chloro-2-methylhex-2-ene
PubChem CID22613996
Molecular FormulaC7H13Cl
Molecular Weight132.63 g/mol
Exact Mass132.07
IUPAC Name3-chloro-2-methylhex-2-ene
SMILESCCCC(Cl)=C(C)C
InChIInChI=1S/C7H13Cl/c1-4-5-7(8)6(2)3/h4-5H2,1-3H3
InChIKeyKTLLIJHNXKLGFO-UHFFFAOYSA-N
XLogP3.32
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 ≤ 53.32
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

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Related Compounds

1-Chloro-2-methylcyclohexene
CID 565361
(Z)-2-Chlor-3-methyl-2-penten
CID 14143293
3-Chloro-2,4-dimethyl-2-pentene
CID 21572692
3-Chloro-2-methylhept-2-ene
CID 12550096
(e)-4-Chloro-5-ethyloct-4-ene
CID 125476371
(e)-6-Chloro-5-methyldec-5-ene
CID 125476651
(E)-2,3-dichlorohex-2-ene
CID 21680254
1-Chloro-2-methylcyclopentene
CID 12611388
3-Chloro-2-methylpent-2-ene
CID 22613989
3,6-Dichloro-2-methylhex-2-ene
CID 23451715
2-Isopropylidene-1,4-dichlorobutane
CID 23451717
(E)-2-chloro-3-methylpent-2-ene
CID 23505268

Frequently Asked Questions

What is the IUPAC name of 3-chloro-2-methylhex-2-ene?
The IUPAC name of 3-chloro-2-methylhex-2-ene (CID 22613996) is 3-chloro-2-methylhex-2-ene.
What is the SMILES notation for 3-chloro-2-methylhex-2-ene?
The canonical SMILES for 3-chloro-2-methylhex-2-ene is CCCC(Cl)=C(C)C.
What is the InChIKey of 3-chloro-2-methylhex-2-ene?
The InChIKey is KTLLIJHNXKLGFO-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H13Cl/c1-4-5-7(8)6(2)3/h4-5H2,1-3H3.
What are the key properties of 3-chloro-2-methylhex-2-ene?
3-chloro-2-methylhex-2-ene has a molecular weight of 132.63 g/mol, XLogP of 3.32, 2 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 3-chloro-2-methylhex-2-ene is sourced from PubChem (CID 22613996), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).