cis-(1R,4R)-2-(chloromethyl)-4-methyl-1-propan-2-ylcyclohexane

C11H21Cl — CID 123394385

IUPACcis-(1R,4R)-2-(chloromethyl)-4-methyl-1-propan-2-ylcyclohexane
SMILESCC(C)[C@H]1CC[C@@H](C)CC1CCl
InChIInChI=1S/C11H21Cl/c1-8(2)11-5-4-9(3)6-10(11)7-12/h8-11H,4-7H2,1-3H3/t9-,10?,11-/m1/s1
InChIKeyUXGNBQIICWXXJD-GLYLRITDSA-N
MW188.74 g/mol
LogP3.93
Rot. Bonds2

About cis-(1R,4R)-2-(chloromethyl)-4-methyl-1-propan-2-ylcyclohexane

cis-(1R,4R)-2-(chloromethyl)-4-methyl-1-propan-2-ylcyclohexane (PubChem CID 123394385) has the molecular formula C11H21Cl and a molecular weight of 188.74 g/mol. Its IUPAC name is cis-(1R,4R)-2-(chloromethyl)-4-methyl-1-propan-2-ylcyclohexane.

Molecular Properties

Compound Namecis-(1R,4R)-2-(chloromethyl)-4-methyl-1-propan-2-ylcyclohexane
PubChem CID123394385
Molecular FormulaC11H21Cl
Molecular Weight188.74 g/mol
Exact Mass188.13
IUPAC Namecis-(1R,4R)-2-(chloromethyl)-4-methyl-1-propan-2-ylcyclohexane
SMILESCC(C)[C@H]1CC[C@@H](C)CC1CCl
InChIInChI=1S/C11H21Cl/c1-8(2)11-5-4-9(3)6-10(11)7-12/h8-11H,4-7H2,1-3H3/t9-,10?,11-/m1/s1
InChIKeyUXGNBQIICWXXJD-GLYLRITDSA-N
XLogP3.93
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds2
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500188.74
LogP ≤ 53.93
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

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

Analyze cis-(1R,4R)-2-(chloromethyl)-4-methyl-1-propan-2-ylcyclohexane with MolForge

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

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of cis-(1R,4R)-2-(chloromethyl)-4-methyl-1-propan-2-ylcyclohexane?
The IUPAC name of cis-(1R,4R)-2-(chloromethyl)-4-methyl-1-propan-2-ylcyclohexane (CID 123394385) is cis-(1R,4R)-2-(chloromethyl)-4-methyl-1-propan-2-ylcyclohexane.
What is the SMILES notation for cis-(1R,4R)-2-(chloromethyl)-4-methyl-1-propan-2-ylcyclohexane?
The canonical SMILES for cis-(1R,4R)-2-(chloromethyl)-4-methyl-1-propan-2-ylcyclohexane is CC(C)[C@H]1CC[C@@H](C)CC1CCl.
What is the InChIKey of cis-(1R,4R)-2-(chloromethyl)-4-methyl-1-propan-2-ylcyclohexane?
The InChIKey is UXGNBQIICWXXJD-GLYLRITDSA-N. The full InChI is InChI=1S/C11H21Cl/c1-8(2)11-5-4-9(3)6-10(11)7-12/h8-11H,4-7H2,1-3H3/t9-,10?,11-/m1/s1.
What are the key properties of cis-(1R,4R)-2-(chloromethyl)-4-methyl-1-propan-2-ylcyclohexane?
cis-(1R,4R)-2-(chloromethyl)-4-methyl-1-propan-2-ylcyclohexane has a molecular weight of 188.74 g/mol, XLogP of 3.93, 2 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for cis-(1R,4R)-2-(chloromethyl)-4-methyl-1-propan-2-ylcyclohexane is sourced from PubChem (CID 123394385), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).