1-(butylsulfanylmethyl)cyclohexan-1-ol

C11H22OS — CID 65213802

IUPAC1-(butylsulfanylmethyl)cyclohexan-1-ol
SMILESCCCCSCC1(O)CCCCC1
InChIInChI=1S/C11H22OS/c1-2-3-9-13-10-11(12)7-5-4-6-8-11/h12H,2-10H2,1H3
InChIKeyGLTBMHXQPHNTQH-UHFFFAOYSA-N
MW202.36 g/mol
LogP3.21
Rot. Bonds5

About 1-(butylsulfanylmethyl)cyclohexan-1-ol

1-(butylsulfanylmethyl)cyclohexan-1-ol (PubChem CID 65213802) has the molecular formula C11H22OS and a molecular weight of 202.36 g/mol. Its IUPAC name is 1-(butylsulfanylmethyl)cyclohexan-1-ol.

Molecular Properties

Compound Name1-(butylsulfanylmethyl)cyclohexan-1-ol
PubChem CID65213802
Molecular FormulaC11H22OS
Molecular Weight202.36 g/mol
Exact Mass202.14
IUPAC Name1-(butylsulfanylmethyl)cyclohexan-1-ol
SMILESCCCCSCC1(O)CCCCC1
InChIInChI=1S/C11H22OS/c1-2-3-9-13-10-11(12)7-5-4-6-8-11/h12H,2-10H2,1H3
InChIKeyGLTBMHXQPHNTQH-UHFFFAOYSA-N
XLogP3.21
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500202.36
LogP ≤ 53.21
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

Analyze 1-(butylsulfanylmethyl)cyclohexan-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 1-(butylsulfanylmethyl)cyclohexan-1-ol?
The IUPAC name of 1-(butylsulfanylmethyl)cyclohexan-1-ol (CID 65213802) is 1-(butylsulfanylmethyl)cyclohexan-1-ol.
What is the SMILES notation for 1-(butylsulfanylmethyl)cyclohexan-1-ol?
The canonical SMILES for 1-(butylsulfanylmethyl)cyclohexan-1-ol is CCCCSCC1(O)CCCCC1.
What is the InChIKey of 1-(butylsulfanylmethyl)cyclohexan-1-ol?
The InChIKey is GLTBMHXQPHNTQH-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H22OS/c1-2-3-9-13-10-11(12)7-5-4-6-8-11/h12H,2-10H2,1H3.
What are the key properties of 1-(butylsulfanylmethyl)cyclohexan-1-ol?
1-(butylsulfanylmethyl)cyclohexan-1-ol has a molecular weight of 202.36 g/mol, XLogP of 3.21, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(butylsulfanylmethyl)cyclohexan-1-ol is sourced from PubChem (CID 65213802), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).