5-cyclohexyl-5-sulfanylpentan-1-ol

C11H22OS — CID 87600035

IUPAC5-cyclohexyl-5-sulfanylpentan-1-ol
SMILESOCCCCC(S)C1CCCCC1
InChIInChI=1S/C11H22OS/c12-9-5-4-8-11(13)10-6-2-1-3-7-10/h10-13H,1-9H2
InChIKeyWTXVPYMFFXAXIN-UHFFFAOYSA-N
MW202.36 g/mol
LogP3.03
Rot. Bonds5

About 5-cyclohexyl-5-sulfanylpentan-1-ol

5-cyclohexyl-5-sulfanylpentan-1-ol (PubChem CID 87600035) has the molecular formula C11H22OS and a molecular weight of 202.36 g/mol. Its IUPAC name is 5-cyclohexyl-5-sulfanylpentan-1-ol.

Molecular Properties

Compound Name5-cyclohexyl-5-sulfanylpentan-1-ol
PubChem CID87600035
Molecular FormulaC11H22OS
Molecular Weight202.36 g/mol
Exact Mass202.14
IUPAC Name5-cyclohexyl-5-sulfanylpentan-1-ol
SMILESOCCCCC(S)C1CCCCC1
InChIInChI=1S/C11H22OS/c12-9-5-4-8-11(13)10-6-2-1-3-7-10/h10-13H,1-9H2
InChIKeyWTXVPYMFFXAXIN-UHFFFAOYSA-N
XLogP3.03
TPSA20.23 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500202.36
LogP ≤ 53.03
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'thiol_2', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 5-cyclohexyl-5-sulfanylpentan-1-ol?
The IUPAC name of 5-cyclohexyl-5-sulfanylpentan-1-ol (CID 87600035) is 5-cyclohexyl-5-sulfanylpentan-1-ol.
What is the SMILES notation for 5-cyclohexyl-5-sulfanylpentan-1-ol?
The canonical SMILES for 5-cyclohexyl-5-sulfanylpentan-1-ol is OCCCCC(S)C1CCCCC1.
What is the InChIKey of 5-cyclohexyl-5-sulfanylpentan-1-ol?
The InChIKey is WTXVPYMFFXAXIN-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H22OS/c12-9-5-4-8-11(13)10-6-2-1-3-7-10/h10-13H,1-9H2.
What are the key properties of 5-cyclohexyl-5-sulfanylpentan-1-ol?
5-cyclohexyl-5-sulfanylpentan-1-ol has a molecular weight of 202.36 g/mol, XLogP of 3.03, 5 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-cyclohexyl-5-sulfanylpentan-1-ol is sourced from PubChem (CID 87600035), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).