3-cyclohex-2-en-1-ylsulfanylbutan-2-ol

C10H18OS — CID 103706106

IUPAC3-cyclohex-2-en-1-ylsulfanylbutan-2-ol
SMILESCC(O)C(C)SC1C=CCCC1
InChIInChI=1S/C10H18OS/c1-8(11)9(2)12-10-6-4-3-5-7-10/h4,6,8-11H,3,5,7H2,1-2H3
InChIKeyFWEUOGAQGSAXOP-UHFFFAOYSA-N
MW186.32 g/mol
LogP2.60
Rot. Bonds3

About 3-cyclohex-2-en-1-ylsulfanylbutan-2-ol

3-cyclohex-2-en-1-ylsulfanylbutan-2-ol (PubChem CID 103706106) has the molecular formula C10H18OS and a molecular weight of 186.32 g/mol. Its IUPAC name is 3-cyclohex-2-en-1-ylsulfanylbutan-2-ol.

Molecular Properties

Compound Name3-cyclohex-2-en-1-ylsulfanylbutan-2-ol
PubChem CID103706106
Molecular FormulaC10H18OS
Molecular Weight186.32 g/mol
Exact Mass186.11
IUPAC Name3-cyclohex-2-en-1-ylsulfanylbutan-2-ol
SMILESCC(O)C(C)SC1C=CCCC1
InChIInChI=1S/C10H18OS/c1-8(11)9(2)12-10-6-4-3-5-7-10/h4,6,8-11H,3,5,7H2,1-2H3
InChIKeyFWEUOGAQGSAXOP-UHFFFAOYSA-N
XLogP2.60
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500186.32
LogP ≤ 52.60
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

Analyze 3-cyclohex-2-en-1-ylsulfanylbutan-2-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 3-cyclohex-2-en-1-ylsulfanylbutan-2-ol?
The IUPAC name of 3-cyclohex-2-en-1-ylsulfanylbutan-2-ol (CID 103706106) is 3-cyclohex-2-en-1-ylsulfanylbutan-2-ol.
What is the SMILES notation for 3-cyclohex-2-en-1-ylsulfanylbutan-2-ol?
The canonical SMILES for 3-cyclohex-2-en-1-ylsulfanylbutan-2-ol is CC(O)C(C)SC1C=CCCC1.
What is the InChIKey of 3-cyclohex-2-en-1-ylsulfanylbutan-2-ol?
The InChIKey is FWEUOGAQGSAXOP-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H18OS/c1-8(11)9(2)12-10-6-4-3-5-7-10/h4,6,8-11H,3,5,7H2,1-2H3.
What are the key properties of 3-cyclohex-2-en-1-ylsulfanylbutan-2-ol?
3-cyclohex-2-en-1-ylsulfanylbutan-2-ol has a molecular weight of 186.32 g/mol, XLogP of 2.60, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-cyclohex-2-en-1-ylsulfanylbutan-2-ol is sourced from PubChem (CID 103706106), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).