3-chloro-4-methylhept-3-ene

C8H15Cl — CID 123319329

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

About 3-chloro-4-methylhept-3-ene

3-chloro-4-methylhept-3-ene (PubChem CID 123319329) has the molecular formula C8H15Cl and a molecular weight of 146.66 g/mol. Its IUPAC name is 3-chloro-4-methylhept-3-ene.

Molecular Properties

Compound Name3-chloro-4-methylhept-3-ene
PubChem CID123319329
Molecular FormulaC8H15Cl
Molecular Weight146.66 g/mol
Exact Mass146.09
IUPAC Name3-chloro-4-methylhept-3-ene
SMILESCCCC(C)=C(Cl)CC
InChIInChI=1S/C8H15Cl/c1-4-6-7(3)8(9)5-2/h4-6H2,1-3H3
InChIKeyIVSHJDSKDQETGX-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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Frequently Asked Questions

What is the IUPAC name of 3-chloro-4-methylhept-3-ene?
The IUPAC name of 3-chloro-4-methylhept-3-ene (CID 123319329) is 3-chloro-4-methylhept-3-ene.
What is the SMILES notation for 3-chloro-4-methylhept-3-ene?
The canonical SMILES for 3-chloro-4-methylhept-3-ene is CCCC(C)=C(Cl)CC.
What is the InChIKey of 3-chloro-4-methylhept-3-ene?
The InChIKey is IVSHJDSKDQETGX-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H15Cl/c1-4-6-7(3)8(9)5-2/h4-6H2,1-3H3.
What are the key properties of 3-chloro-4-methylhept-3-ene?
3-chloro-4-methylhept-3-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-4-methylhept-3-ene is sourced from PubChem (CID 123319329), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).