1-chloro-2-methylcyclohexane

C7H13Cl — CID 13351475

IUPAC1-chloro-2-methylcyclohexane
SMILESCC1CCCCC1Cl
InChIInChI=1S/C7H13Cl/c1-6-4-2-3-5-7(6)8/h6-7H,2-5H2,1H3
InChIKeyWFJGAWJGPYDUMP-UHFFFAOYSA-N
MW132.63 g/mol
LogP2.80
Rot. Bonds

About 1-chloro-2-methylcyclohexane

1-chloro-2-methylcyclohexane (PubChem CID 13351475) has the molecular formula C7H13Cl and a molecular weight of 132.63 g/mol. Its IUPAC name is 1-chloro-2-methylcyclohexane.

Molecular Properties

Compound Name1-chloro-2-methylcyclohexane
PubChem CID13351475
Molecular FormulaC7H13Cl
Molecular Weight132.63 g/mol
Exact Mass132.07
IUPAC Name1-chloro-2-methylcyclohexane
SMILESCC1CCCCC1Cl
InChIInChI=1S/C7H13Cl/c1-6-4-2-3-5-7(6)8/h6-7H,2-5H2,1H3
InChIKeyWFJGAWJGPYDUMP-UHFFFAOYSA-N
XLogP2.80
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds
Heavy Atoms8
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500132.63
LogP ≤ 52.80
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 1-chloro-2-methylcyclohexane?
The IUPAC name of 1-chloro-2-methylcyclohexane (CID 13351475) is 1-chloro-2-methylcyclohexane.
What is the SMILES notation for 1-chloro-2-methylcyclohexane?
The canonical SMILES for 1-chloro-2-methylcyclohexane is CC1CCCCC1Cl.
What is the InChIKey of 1-chloro-2-methylcyclohexane?
The InChIKey is WFJGAWJGPYDUMP-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H13Cl/c1-6-4-2-3-5-7(6)8/h6-7H,2-5H2,1H3.
What are the key properties of 1-chloro-2-methylcyclohexane?
1-chloro-2-methylcyclohexane has a molecular weight of 132.63 g/mol, XLogP of 2.80, 0 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 1-chloro-2-methylcyclohexane is sourced from PubChem (CID 13351475), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).