2-(3-methylbutylsulfanyl)cyclohexan-1-ol

C11H22OS — CID 107751872

IUPAC2-(3-methylbutylsulfanyl)cyclohexan-1-ol
SMILESCC(C)CCSC1CCCCC1O
InChIInChI=1S/C11H22OS/c1-9(2)7-8-13-11-6-4-3-5-10(11)12/h9-12H,3-8H2,1-2H3
InChIKeyRXMBIOOFEGNBKA-UHFFFAOYSA-N
MW202.36 g/mol
LogP3.07
Rot. Bonds4

About 2-(3-methylbutylsulfanyl)cyclohexan-1-ol

2-(3-methylbutylsulfanyl)cyclohexan-1-ol (PubChem CID 107751872) has the molecular formula C11H22OS and a molecular weight of 202.36 g/mol. Its IUPAC name is 2-(3-methylbutylsulfanyl)cyclohexan-1-ol.

Molecular Properties

Compound Name2-(3-methylbutylsulfanyl)cyclohexan-1-ol
PubChem CID107751872
Molecular FormulaC11H22OS
Molecular Weight202.36 g/mol
Exact Mass202.14
IUPAC Name2-(3-methylbutylsulfanyl)cyclohexan-1-ol
SMILESCC(C)CCSC1CCCCC1O
InChIInChI=1S/C11H22OS/c1-9(2)7-8-13-11-6-4-3-5-10(11)12/h9-12H,3-8H2,1-2H3
InChIKeyRXMBIOOFEGNBKA-UHFFFAOYSA-N
XLogP3.07
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500202.36
LogP ≤ 53.07
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Analyze 2-(3-methylbutylsulfanyl)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 2-(3-methylbutylsulfanyl)cyclohexan-1-ol?
The IUPAC name of 2-(3-methylbutylsulfanyl)cyclohexan-1-ol (CID 107751872) is 2-(3-methylbutylsulfanyl)cyclohexan-1-ol.
What is the SMILES notation for 2-(3-methylbutylsulfanyl)cyclohexan-1-ol?
The canonical SMILES for 2-(3-methylbutylsulfanyl)cyclohexan-1-ol is CC(C)CCSC1CCCCC1O.
What is the InChIKey of 2-(3-methylbutylsulfanyl)cyclohexan-1-ol?
The InChIKey is RXMBIOOFEGNBKA-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H22OS/c1-9(2)7-8-13-11-6-4-3-5-10(11)12/h9-12H,3-8H2,1-2H3.
What are the key properties of 2-(3-methylbutylsulfanyl)cyclohexan-1-ol?
2-(3-methylbutylsulfanyl)cyclohexan-1-ol has a molecular weight of 202.36 g/mol, XLogP of 3.07, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-methylbutylsulfanyl)cyclohexan-1-ol is sourced from PubChem (CID 107751872), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).