5-(chloromethyl)-5-methyl-2-propan-2-ylcyclohexan-1-ol

C11H21ClO — CID 22117962

IUPAC5-(chloromethyl)-5-methyl-2-propan-2-ylcyclohexan-1-ol
SMILESCC(C)C1CCC(C)(CCl)CC1O
InChIInChI=1S/C11H21ClO/c1-8(2)9-4-5-11(3,7-12)6-10(9)13/h8-10,13H,4-7H2,1-3H3
InChIKeyUKIQEVVKIHQRKH-UHFFFAOYSA-N
MW204.74 g/mol
LogP3.05
Rot. Bonds2

About 5-(chloromethyl)-5-methyl-2-propan-2-ylcyclohexan-1-ol

5-(chloromethyl)-5-methyl-2-propan-2-ylcyclohexan-1-ol (PubChem CID 22117962) has the molecular formula C11H21ClO and a molecular weight of 204.74 g/mol. Its IUPAC name is 5-(chloromethyl)-5-methyl-2-propan-2-ylcyclohexan-1-ol.

Molecular Properties

Compound Name5-(chloromethyl)-5-methyl-2-propan-2-ylcyclohexan-1-ol
PubChem CID22117962
Molecular FormulaC11H21ClO
Molecular Weight204.74 g/mol
Exact Mass204.13
IUPAC Name5-(chloromethyl)-5-methyl-2-propan-2-ylcyclohexan-1-ol
SMILESCC(C)C1CCC(C)(CCl)CC1O
InChIInChI=1S/C11H21ClO/c1-8(2)9-4-5-11(3,7-12)6-10(9)13/h8-10,13H,4-7H2,1-3H3
InChIKeyUKIQEVVKIHQRKH-UHFFFAOYSA-N
XLogP3.05
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500204.74
LogP ≤ 53.05
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

Analyze 5-(chloromethyl)-5-methyl-2-propan-2-ylcyclohexan-1-ol 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 5-(chloromethyl)-5-methyl-2-propan-2-ylcyclohexan-1-ol?
The IUPAC name of 5-(chloromethyl)-5-methyl-2-propan-2-ylcyclohexan-1-ol (CID 22117962) is 5-(chloromethyl)-5-methyl-2-propan-2-ylcyclohexan-1-ol.
What is the SMILES notation for 5-(chloromethyl)-5-methyl-2-propan-2-ylcyclohexan-1-ol?
The canonical SMILES for 5-(chloromethyl)-5-methyl-2-propan-2-ylcyclohexan-1-ol is CC(C)C1CCC(C)(CCl)CC1O.
What is the InChIKey of 5-(chloromethyl)-5-methyl-2-propan-2-ylcyclohexan-1-ol?
The InChIKey is UKIQEVVKIHQRKH-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H21ClO/c1-8(2)9-4-5-11(3,7-12)6-10(9)13/h8-10,13H,4-7H2,1-3H3.
What are the key properties of 5-(chloromethyl)-5-methyl-2-propan-2-ylcyclohexan-1-ol?
5-(chloromethyl)-5-methyl-2-propan-2-ylcyclohexan-1-ol has a molecular weight of 204.74 g/mol, XLogP of 3.05, 2 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(chloromethyl)-5-methyl-2-propan-2-ylcyclohexan-1-ol is sourced from PubChem (CID 22117962), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).