4-chlorocycloheptene

C7H11Cl — CID 12585846

IUPAC4-chlorocycloheptene
SMILESClC1CC=CCCC1
InChIInChI=1S/C7H11Cl/c8-7-5-3-1-2-4-6-7/h1,3,7H,2,4-6H2
InChIKeyUXMDDEDANDWLCF-UHFFFAOYSA-N
MW130.62 g/mol
LogP2.72
Rot. Bonds

About 4-chlorocycloheptene

4-chlorocycloheptene (PubChem CID 12585846) has the molecular formula C7H11Cl and a molecular weight of 130.62 g/mol. Its IUPAC name is 4-chlorocycloheptene.

Molecular Properties

Compound Name4-chlorocycloheptene
PubChem CID12585846
Molecular FormulaC7H11Cl
Molecular Weight130.62 g/mol
Exact Mass130.05
IUPAC Name4-chlorocycloheptene
SMILESClC1CC=CCCC1
InChIInChI=1S/C7H11Cl/c8-7-5-3-1-2-4-6-7/h1,3,7H,2,4-6H2
InChIKeyUXMDDEDANDWLCF-UHFFFAOYSA-N
XLogP2.72
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds
Heavy Atoms8
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500130.62
LogP ≤ 52.72
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'alkyl_halide', 'substructure': 'N/A'}, {'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 4-chlorocycloheptene?
The IUPAC name of 4-chlorocycloheptene (CID 12585846) is 4-chlorocycloheptene.
What is the SMILES notation for 4-chlorocycloheptene?
The canonical SMILES for 4-chlorocycloheptene is ClC1CC=CCCC1.
What is the InChIKey of 4-chlorocycloheptene?
The InChIKey is UXMDDEDANDWLCF-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H11Cl/c8-7-5-3-1-2-4-6-7/h1,3,7H,2,4-6H2.
What are the key properties of 4-chlorocycloheptene?
4-chlorocycloheptene has a molecular weight of 130.62 g/mol, XLogP of 2.72, 0 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 4-chlorocycloheptene is sourced from PubChem (CID 12585846), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).