3-chloro-2-methylhept-2-ene

C8H15Cl — CID 12550096

IUPAC3-chloro-2-methylhept-2-ene
SMILESCCCCC(Cl)=C(C)C
InChIInChI=1S/C8H15Cl/c1-4-5-6-8(9)7(2)3/h4-6H2,1-3H3
InChIKeyPZYUPNLELKDKNB-UHFFFAOYSA-N
MW146.66 g/mol
LogP3.71
Rot. Bonds3

About 3-chloro-2-methylhept-2-ene

3-chloro-2-methylhept-2-ene (PubChem CID 12550096) has the molecular formula C8H15Cl and a molecular weight of 146.66 g/mol. Its IUPAC name is 3-chloro-2-methylhept-2-ene.

Molecular Properties

Compound Name3-chloro-2-methylhept-2-ene
PubChem CID12550096
Molecular FormulaC8H15Cl
Molecular Weight146.66 g/mol
Exact Mass146.09
IUPAC Name3-chloro-2-methylhept-2-ene
SMILESCCCCC(Cl)=C(C)C
InChIInChI=1S/C8H15Cl/c1-4-5-6-8(9)7(2)3/h4-6H2,1-3H3
InChIKeyPZYUPNLELKDKNB-UHFFFAOYSA-N
XLogP3.71
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds3
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500146.66
LogP ≤ 53.71
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

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Related Compounds

2-Chloromyrcene
CID 23247410
1-Chloro-2-methylcyclohexene
CID 565361
4,5-Dichlorooct-4-ene
CID 71381306
2,6-Dichloro-7-methyl-3-methylideneocta-1,6-diene
CID 23426906
5,6-Dichloro-5-decene
CID 85760002
(e)-4-Chloro-5-ethyloct-4-ene
CID 125476371
(e)-6-Chloro-5-methyldec-5-ene
CID 125476651
6-Chloro-2,3,6-trimethylhept-2-ene
CID 14367912
1-Chloro-2-methylcyclopentene
CID 12611388
3-Chloro-2-methylhex-2-ene
CID 22613996
1-Chloro-5-ethylcyclohexa-1,4-diene
CID 57258614
5-Chloro-2,6-dimethylhepta-1,5-diene
CID 58872599

Frequently Asked Questions

What is the IUPAC name of 3-chloro-2-methylhept-2-ene?
The IUPAC name of 3-chloro-2-methylhept-2-ene (CID 12550096) is 3-chloro-2-methylhept-2-ene.
What is the SMILES notation for 3-chloro-2-methylhept-2-ene?
The canonical SMILES for 3-chloro-2-methylhept-2-ene is CCCCC(Cl)=C(C)C.
What is the InChIKey of 3-chloro-2-methylhept-2-ene?
The InChIKey is PZYUPNLELKDKNB-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H15Cl/c1-4-5-6-8(9)7(2)3/h4-6H2,1-3H3.
What are the key properties of 3-chloro-2-methylhept-2-ene?
3-chloro-2-methylhept-2-ene has a molecular weight of 146.66 g/mol, XLogP of 3.71, 3 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 3-chloro-2-methylhept-2-ene is sourced from PubChem (CID 12550096), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).