4-chlorohept-3-ene

C7H13Cl — CID 71383203

IUPAC4-chlorohept-3-ene
SMILESCCC=C(Cl)CCC
InChIInChI=1S/C7H13Cl/c1-3-5-7(8)6-4-2/h5H,3-4,6H2,1-2H3
InChIKeyIHVCWNOYIUYQAM-UHFFFAOYSA-N
MW132.63 g/mol
LogP3.32
Rot. Bonds3

About 4-chlorohept-3-ene

4-chlorohept-3-ene (PubChem CID 71383203) has the molecular formula C7H13Cl and a molecular weight of 132.63 g/mol. Its IUPAC name is 4-chlorohept-3-ene.

Molecular Properties

Compound Name4-chlorohept-3-ene
PubChem CID71383203
Molecular FormulaC7H13Cl
Molecular Weight132.63 g/mol
Exact Mass132.07
IUPAC Name4-chlorohept-3-ene
SMILESCCC=C(Cl)CCC
InChIInChI=1S/C7H13Cl/c1-3-5-7(8)6-4-2/h5H,3-4,6H2,1-2H3
InChIKeyIHVCWNOYIUYQAM-UHFFFAOYSA-N
XLogP3.32
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds3
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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Frequently Asked Questions

What is the IUPAC name of 4-chlorohept-3-ene?
The IUPAC name of 4-chlorohept-3-ene (CID 71383203) is 4-chlorohept-3-ene.
What is the SMILES notation for 4-chlorohept-3-ene?
The canonical SMILES for 4-chlorohept-3-ene is CCC=C(Cl)CCC.
What is the InChIKey of 4-chlorohept-3-ene?
The InChIKey is IHVCWNOYIUYQAM-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H13Cl/c1-3-5-7(8)6-4-2/h5H,3-4,6H2,1-2H3.
What are the key properties of 4-chlorohept-3-ene?
4-chlorohept-3-ene has a molecular weight of 132.63 g/mol, XLogP of 3.32, 3 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 4-chlorohept-3-ene is sourced from PubChem (CID 71383203), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).