4-(chloromethyl)cyclohexene

C7H11Cl — CID 556956

IUPAC4-(chloromethyl)cyclohexene
SMILESClCC1CC=CCC1
InChIInChI=1S/C7H11Cl/c8-6-7-4-2-1-3-5-7/h1-2,7H,3-6H2
InChIKeySFBHUBQGECWONK-UHFFFAOYSA-N
MW130.62 g/mol
LogP2.58
Rot. Bonds1

About 4-(chloromethyl)cyclohexene

4-(chloromethyl)cyclohexene (PubChem CID 556956) has the molecular formula C7H11Cl and a molecular weight of 130.62 g/mol. Its IUPAC name is 4-(chloromethyl)cyclohexene.

Molecular Properties

Compound Name4-(chloromethyl)cyclohexene
PubChem CID556956
Molecular FormulaC7H11Cl
Molecular Weight130.62 g/mol
Exact Mass130.05
IUPAC Name4-(chloromethyl)cyclohexene
SMILESClCC1CC=CCC1
InChIInChI=1S/C7H11Cl/c8-6-7-4-2-1-3-5-7/h1-2,7H,3-6H2
InChIKeySFBHUBQGECWONK-UHFFFAOYSA-N
XLogP2.58
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds1
Heavy Atoms8
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500130.62
LogP ≤ 52.58
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-(chloromethyl)cyclohexene?
The IUPAC name of 4-(chloromethyl)cyclohexene (CID 556956) is 4-(chloromethyl)cyclohexene.
What is the SMILES notation for 4-(chloromethyl)cyclohexene?
The canonical SMILES for 4-(chloromethyl)cyclohexene is ClCC1CC=CCC1.
What is the InChIKey of 4-(chloromethyl)cyclohexene?
The InChIKey is SFBHUBQGECWONK-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H11Cl/c8-6-7-4-2-1-3-5-7/h1-2,7H,3-6H2.
What are the key properties of 4-(chloromethyl)cyclohexene?
4-(chloromethyl)cyclohexene has a molecular weight of 130.62 g/mol, XLogP of 2.58, 1 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(chloromethyl)cyclohexene is sourced from PubChem (CID 556956), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).