cis-(1R,3S)-1-chloro-3-methylcyclohexane

C7H13Cl — CID 643040

IUPACcis-(1R,3S)-1-chloro-3-methylcyclohexane
SMILESC[C@H]1CCC[C@@H](Cl)C1
InChIInChI=1S/C7H13Cl/c1-6-3-2-4-7(8)5-6/h6-7H,2-5H2,1H3/t6-,7+/m0/s1
InChIKeyIIDPVAQJDNIXKZ-NKWVEPMBSA-N
MW132.63 g/mol
LogP2.80
Rot. Bonds

About cis-(1R,3S)-1-chloro-3-methylcyclohexane

cis-(1R,3S)-1-chloro-3-methylcyclohexane (PubChem CID 643040) has the molecular formula C7H13Cl and a molecular weight of 132.63 g/mol. Its IUPAC name is cis-(1R,3S)-1-chloro-3-methylcyclohexane.

Molecular Properties

Compound Namecis-(1R,3S)-1-chloro-3-methylcyclohexane
PubChem CID643040
Molecular FormulaC7H13Cl
Molecular Weight132.63 g/mol
Exact Mass132.07
IUPAC Namecis-(1R,3S)-1-chloro-3-methylcyclohexane
SMILESC[C@H]1CCC[C@@H](Cl)C1
InChIInChI=1S/C7H13Cl/c1-6-3-2-4-7(8)5-6/h6-7H,2-5H2,1H3/t6-,7+/m0/s1
InChIKeyIIDPVAQJDNIXKZ-NKWVEPMBSA-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'}

Analyze cis-(1R,3S)-1-chloro-3-methylcyclohexane with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

1-chloro-3-(3-methylcyclohexyl)cyclohexane
CID 64514707
(1R)-1,3-dimethylcyclohexane
CID 12594306
trans-(1S,3S)-1,3-dichlorocyclohexane
CID 22214628
CID 175388606
CID 175388606
1-chloro-4-methylcyclooctane
CID 123842741
1-chloro-3-methylcyclopentane;1,4-dimethylcyclohexane;1,2-dimethylcyclopropane;1-fluoro-1,2-dimethylcyclopropane;methylcyclobutane;methylcyclohexane;methylcyclopentane;methylcyclopropane
CID 164974299
cyclooctane;methylcyclobutane
CID 159456217
1,5,9,13,17,21-hexamethylcyclotetracosane
CID 164675975
cyclobutane;cyclopropane;methylcyclobutane
CID 157419563
trans-(1S,3S)-1,3-dimethylcyclooctane
CID 6427537
(1R)-3-chloro-N-methylcyclohexan-1-amine
CID 134365842
1-[(E)-2-cyclobutylethenyl]-3-methylcyclohexane
CID 142973794

Frequently Asked Questions

What is the IUPAC name of cis-(1R,3S)-1-chloro-3-methylcyclohexane?
The IUPAC name of cis-(1R,3S)-1-chloro-3-methylcyclohexane (CID 643040) is cis-(1R,3S)-1-chloro-3-methylcyclohexane.
What is the SMILES notation for cis-(1R,3S)-1-chloro-3-methylcyclohexane?
The canonical SMILES for cis-(1R,3S)-1-chloro-3-methylcyclohexane is C[C@H]1CCC[C@@H](Cl)C1.
What is the InChIKey of cis-(1R,3S)-1-chloro-3-methylcyclohexane?
The InChIKey is IIDPVAQJDNIXKZ-NKWVEPMBSA-N. The full InChI is InChI=1S/C7H13Cl/c1-6-3-2-4-7(8)5-6/h6-7H,2-5H2,1H3/t6-,7+/m0/s1.
What are the key properties of cis-(1R,3S)-1-chloro-3-methylcyclohexane?
cis-(1R,3S)-1-chloro-3-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 cis-(1R,3S)-1-chloro-3-methylcyclohexane is sourced from PubChem (CID 643040), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).