1-(3,4-dimethylcyclohexyl)-3-methylsulfanylpropan-1-ol

C12H24OS — CID 64740015

IUPAC1-(3,4-dimethylcyclohexyl)-3-methylsulfanylpropan-1-ol
SMILESCSCCC(O)C1CCC(C)C(C)C1
InChIInChI=1S/C12H24OS/c1-9-4-5-11(8-10(9)2)12(13)6-7-14-3/h9-13H,4-8H2,1-3H3
InChIKeyJDZDKBGJRUIKLS-UHFFFAOYSA-N
MW216.39 g/mol
LogP3.17
Rot. Bonds4

About 1-(3,4-dimethylcyclohexyl)-3-methylsulfanylpropan-1-ol

1-(3,4-dimethylcyclohexyl)-3-methylsulfanylpropan-1-ol (PubChem CID 64740015) has the molecular formula C12H24OS and a molecular weight of 216.39 g/mol. Its IUPAC name is 1-(3,4-dimethylcyclohexyl)-3-methylsulfanylpropan-1-ol.

Molecular Properties

Compound Name1-(3,4-dimethylcyclohexyl)-3-methylsulfanylpropan-1-ol
PubChem CID64740015
Molecular FormulaC12H24OS
Molecular Weight216.39 g/mol
Exact Mass216.15
IUPAC Name1-(3,4-dimethylcyclohexyl)-3-methylsulfanylpropan-1-ol
SMILESCSCCC(O)C1CCC(C)C(C)C1
InChIInChI=1S/C12H24OS/c1-9-4-5-11(8-10(9)2)12(13)6-7-14-3/h9-13H,4-8H2,1-3H3
InChIKeyJDZDKBGJRUIKLS-UHFFFAOYSA-N
XLogP3.17
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500216.39
LogP ≤ 53.17
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Analyze 1-(3,4-dimethylcyclohexyl)-3-methylsulfanylpropan-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-(3,4-dimethylcyclohexyl)-3-methylsulfanylpropan-1-ol?
The IUPAC name of 1-(3,4-dimethylcyclohexyl)-3-methylsulfanylpropan-1-ol (CID 64740015) is 1-(3,4-dimethylcyclohexyl)-3-methylsulfanylpropan-1-ol.
What is the SMILES notation for 1-(3,4-dimethylcyclohexyl)-3-methylsulfanylpropan-1-ol?
The canonical SMILES for 1-(3,4-dimethylcyclohexyl)-3-methylsulfanylpropan-1-ol is CSCCC(O)C1CCC(C)C(C)C1.
What is the InChIKey of 1-(3,4-dimethylcyclohexyl)-3-methylsulfanylpropan-1-ol?
The InChIKey is JDZDKBGJRUIKLS-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H24OS/c1-9-4-5-11(8-10(9)2)12(13)6-7-14-3/h9-13H,4-8H2,1-3H3.
What are the key properties of 1-(3,4-dimethylcyclohexyl)-3-methylsulfanylpropan-1-ol?
1-(3,4-dimethylcyclohexyl)-3-methylsulfanylpropan-1-ol has a molecular weight of 216.39 g/mol, XLogP of 3.17, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3,4-dimethylcyclohexyl)-3-methylsulfanylpropan-1-ol is sourced from PubChem (CID 64740015), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).