1-(1-propan-2-ylsulfanylprop-2-enyl)cyclohexan-1-ol

C12H22OS — CID 13263788

IUPAC1-(1-propan-2-ylsulfanylprop-2-enyl)cyclohexan-1-ol
SMILESC=CC(SC(C)C)C1(O)CCCCC1
InChIInChI=1S/C12H22OS/c1-4-11(14-10(2)3)12(13)8-6-5-7-9-12/h4,10-11,13H,1,5-9H2,2-3H3
InChIKeyLVMQZQMZJHZDGY-UHFFFAOYSA-N
MW214.37 g/mol
LogP3.38
Rot. Bonds4

About 1-(1-propan-2-ylsulfanylprop-2-enyl)cyclohexan-1-ol

1-(1-propan-2-ylsulfanylprop-2-enyl)cyclohexan-1-ol (PubChem CID 13263788) has the molecular formula C12H22OS and a molecular weight of 214.37 g/mol. Its IUPAC name is 1-(1-propan-2-ylsulfanylprop-2-enyl)cyclohexan-1-ol.

Molecular Properties

Compound Name1-(1-propan-2-ylsulfanylprop-2-enyl)cyclohexan-1-ol
PubChem CID13263788
Molecular FormulaC12H22OS
Molecular Weight214.37 g/mol
Exact Mass214.14
IUPAC Name1-(1-propan-2-ylsulfanylprop-2-enyl)cyclohexan-1-ol
SMILESC=CC(SC(C)C)C1(O)CCCCC1
InChIInChI=1S/C12H22OS/c1-4-11(14-10(2)3)12(13)8-6-5-7-9-12/h4,10-11,13H,1,5-9H2,2-3H3
InChIKeyLVMQZQMZJHZDGY-UHFFFAOYSA-N
XLogP3.38
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500214.37
LogP ≤ 53.38
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

Analyze 1-(1-propan-2-ylsulfanylprop-2-enyl)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-(1-propan-2-ylsulfanylprop-2-enyl)cyclohexan-1-ol?
The IUPAC name of 1-(1-propan-2-ylsulfanylprop-2-enyl)cyclohexan-1-ol (CID 13263788) is 1-(1-propan-2-ylsulfanylprop-2-enyl)cyclohexan-1-ol.
What is the SMILES notation for 1-(1-propan-2-ylsulfanylprop-2-enyl)cyclohexan-1-ol?
The canonical SMILES for 1-(1-propan-2-ylsulfanylprop-2-enyl)cyclohexan-1-ol is C=CC(SC(C)C)C1(O)CCCCC1.
What is the InChIKey of 1-(1-propan-2-ylsulfanylprop-2-enyl)cyclohexan-1-ol?
The InChIKey is LVMQZQMZJHZDGY-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H22OS/c1-4-11(14-10(2)3)12(13)8-6-5-7-9-12/h4,10-11,13H,1,5-9H2,2-3H3.
What are the key properties of 1-(1-propan-2-ylsulfanylprop-2-enyl)cyclohexan-1-ol?
1-(1-propan-2-ylsulfanylprop-2-enyl)cyclohexan-1-ol has a molecular weight of 214.37 g/mol, XLogP of 3.38, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(1-propan-2-ylsulfanylprop-2-enyl)cyclohexan-1-ol is sourced from PubChem (CID 13263788), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).