5-(2-ethylsulfanylpropyl)cyclohexen-1-ol

C11H20OS — CID 175748214

IUPAC5-(2-ethylsulfanylpropyl)cyclohexen-1-ol
SMILESCCSC(C)CC1CCC=C(O)C1
InChIInChI=1S/C11H20OS/c1-3-13-9(2)7-10-5-4-6-11(12)8-10/h6,9-10,12H,3-5,7-8H2,1-2H3
InChIKeyLCQBMSZXQWIRPG-UHFFFAOYSA-N
MW200.35 g/mol
LogP3.76
Rot. Bonds4

About 5-(2-ethylsulfanylpropyl)cyclohexen-1-ol

5-(2-ethylsulfanylpropyl)cyclohexen-1-ol (PubChem CID 175748214) has the molecular formula C11H20OS and a molecular weight of 200.35 g/mol. Its IUPAC name is 5-(2-ethylsulfanylpropyl)cyclohexen-1-ol.

Molecular Properties

Compound Name5-(2-ethylsulfanylpropyl)cyclohexen-1-ol
PubChem CID175748214
Molecular FormulaC11H20OS
Molecular Weight200.35 g/mol
Exact Mass200.12
IUPAC Name5-(2-ethylsulfanylpropyl)cyclohexen-1-ol
SMILESCCSC(C)CC1CCC=C(O)C1
InChIInChI=1S/C11H20OS/c1-3-13-9(2)7-10-5-4-6-11(12)8-10/h6,9-10,12H,3-5,7-8H2,1-2H3
InChIKeyLCQBMSZXQWIRPG-UHFFFAOYSA-N
XLogP3.76
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500200.35
LogP ≤ 53.76
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Analyze 5-(2-ethylsulfanylpropyl)cyclohexen-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 5-(2-ethylsulfanylpropyl)cyclohexen-1-ol?
The IUPAC name of 5-(2-ethylsulfanylpropyl)cyclohexen-1-ol (CID 175748214) is 5-(2-ethylsulfanylpropyl)cyclohexen-1-ol.
What is the SMILES notation for 5-(2-ethylsulfanylpropyl)cyclohexen-1-ol?
The canonical SMILES for 5-(2-ethylsulfanylpropyl)cyclohexen-1-ol is CCSC(C)CC1CCC=C(O)C1.
What is the InChIKey of 5-(2-ethylsulfanylpropyl)cyclohexen-1-ol?
The InChIKey is LCQBMSZXQWIRPG-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H20OS/c1-3-13-9(2)7-10-5-4-6-11(12)8-10/h6,9-10,12H,3-5,7-8H2,1-2H3.
What are the key properties of 5-(2-ethylsulfanylpropyl)cyclohexen-1-ol?
5-(2-ethylsulfanylpropyl)cyclohexen-1-ol has a molecular weight of 200.35 g/mol, XLogP of 3.76, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(2-ethylsulfanylpropyl)cyclohexen-1-ol is sourced from PubChem (CID 175748214), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).