(3,4-dimethylcyclohexyl)-(thian-2-yl)methanol

C14H26OS — CID 80621988

IUPAC(3,4-dimethylcyclohexyl)-(thian-2-yl)methanol
SMILESCC1CCC(C(O)C2CCCCS2)CC1C
InChIInChI=1S/C14H26OS/c1-10-6-7-12(9-11(10)2)14(15)13-5-3-4-8-16-13/h10-15H,3-9H2,1-2H3
InChIKeyXMHXUXWOBJXKFO-UHFFFAOYSA-N
MW242.43 g/mol
LogP3.71
Rot. Bonds2

About (3,4-dimethylcyclohexyl)-(thian-2-yl)methanol

(3,4-dimethylcyclohexyl)-(thian-2-yl)methanol (PubChem CID 80621988) has the molecular formula C14H26OS and a molecular weight of 242.43 g/mol. Its IUPAC name is (3,4-dimethylcyclohexyl)-(thian-2-yl)methanol.

Molecular Properties

Compound Name(3,4-dimethylcyclohexyl)-(thian-2-yl)methanol
PubChem CID80621988
Molecular FormulaC14H26OS
Molecular Weight242.43 g/mol
Exact Mass242.17
IUPAC Name(3,4-dimethylcyclohexyl)-(thian-2-yl)methanol
SMILESCC1CCC(C(O)C2CCCCS2)CC1C
InChIInChI=1S/C14H26OS/c1-10-6-7-12(9-11(10)2)14(15)13-5-3-4-8-16-13/h10-15H,3-9H2,1-2H3
InChIKeyXMHXUXWOBJXKFO-UHFFFAOYSA-N
XLogP3.71
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500242.43
LogP ≤ 53.71
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Analyze (3,4-dimethylcyclohexyl)-(thian-2-yl)methanol 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 (3,4-dimethylcyclohexyl)-(thian-2-yl)methanol?
The IUPAC name of (3,4-dimethylcyclohexyl)-(thian-2-yl)methanol (CID 80621988) is (3,4-dimethylcyclohexyl)-(thian-2-yl)methanol.
What is the SMILES notation for (3,4-dimethylcyclohexyl)-(thian-2-yl)methanol?
The canonical SMILES for (3,4-dimethylcyclohexyl)-(thian-2-yl)methanol is CC1CCC(C(O)C2CCCCS2)CC1C.
What is the InChIKey of (3,4-dimethylcyclohexyl)-(thian-2-yl)methanol?
The InChIKey is XMHXUXWOBJXKFO-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H26OS/c1-10-6-7-12(9-11(10)2)14(15)13-5-3-4-8-16-13/h10-15H,3-9H2,1-2H3.
What are the key properties of (3,4-dimethylcyclohexyl)-(thian-2-yl)methanol?
(3,4-dimethylcyclohexyl)-(thian-2-yl)methanol has a molecular weight of 242.43 g/mol, XLogP of 3.71, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (3,4-dimethylcyclohexyl)-(thian-2-yl)methanol is sourced from PubChem (CID 80621988), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).