3-hexadecyl-1-sulfanylcyclopentan-1-ol

C21H42OS — CID 151093273

IUPAC3-hexadecyl-1-sulfanylcyclopentan-1-ol
SMILESCCCCCCCCCCCCCCCCC1CCC(O)(S)C1
InChIInChI=1S/C21H42OS/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-20-17-18-21(22,23)19-20/h20,22-23H,2-19H2,1H3
InChIKeyMMORMSUWPNMEMR-UHFFFAOYSA-N
MW342.63 g/mol
LogP7.28
Rot. Bonds15

About 3-hexadecyl-1-sulfanylcyclopentan-1-ol

3-hexadecyl-1-sulfanylcyclopentan-1-ol (PubChem CID 151093273) has the molecular formula C21H42OS and a molecular weight of 342.63 g/mol. Its IUPAC name is 3-hexadecyl-1-sulfanylcyclopentan-1-ol.

Molecular Properties

Compound Name3-hexadecyl-1-sulfanylcyclopentan-1-ol
PubChem CID151093273
Molecular FormulaC21H42OS
Molecular Weight342.63 g/mol
Exact Mass342.30
IUPAC Name3-hexadecyl-1-sulfanylcyclopentan-1-ol
SMILESCCCCCCCCCCCCCCCCC1CCC(O)(S)C1
InChIInChI=1S/C21H42OS/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-20-17-18-21(22,23)19-20/h20,22-23H,2-19H2,1H3
InChIKeyMMORMSUWPNMEMR-UHFFFAOYSA-N
XLogP7.28
TPSA20.23 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds15
Heavy Atoms23
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500342.63
LogP ≤ 57.28
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'het-C-het_not_in_ring', 'substructure': 'N/A'}, {'alert_name': 'thiol_2', 'substructure': 'N/A'}

Analyze 3-hexadecyl-1-sulfanylcyclopentan-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

Related Compounds

4-decyl-1,1,2,2-tetramethylcyclopentane
CID 151279869
3,11-diheptyldispiro[5.1.58.16]tetradecane
CID 18633606
1,4-dihexylcyclohexane
CID 22947938
octadecane;pentadecylcyclopropane
CID 173301851
tetradecane;undecylcyclopropane
CID 173215670
1-dodecyl-4-pentadecylcyclohexane
CID 123560684
1-hydroxy-4-pentylcyclohexane-1-carboxylic acid
CID 118325551
2,6-dihexylspiro[3.3]heptane
CID 58679549
azane;hexylcyclopropane
CID 135322230
hexane;pentylcyclopropane
CID 159592467
4-butyl-1-[2-(4-heptylcyclohexyl)ethyl]cyclohexane-1-carbonitrile
CID 18596716
1-cyclopropyltritriacontan-16-one
CID 175774225

Frequently Asked Questions

What is the IUPAC name of 3-hexadecyl-1-sulfanylcyclopentan-1-ol?
The IUPAC name of 3-hexadecyl-1-sulfanylcyclopentan-1-ol (CID 151093273) is 3-hexadecyl-1-sulfanylcyclopentan-1-ol.
What is the SMILES notation for 3-hexadecyl-1-sulfanylcyclopentan-1-ol?
The canonical SMILES for 3-hexadecyl-1-sulfanylcyclopentan-1-ol is CCCCCCCCCCCCCCCCC1CCC(O)(S)C1.
What is the InChIKey of 3-hexadecyl-1-sulfanylcyclopentan-1-ol?
The InChIKey is MMORMSUWPNMEMR-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H42OS/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-20-17-18-21(22,23)19-20/h20,22-23H,2-19H2,1H3.
What are the key properties of 3-hexadecyl-1-sulfanylcyclopentan-1-ol?
3-hexadecyl-1-sulfanylcyclopentan-1-ol has a molecular weight of 342.63 g/mol, XLogP of 7.28, 15 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-hexadecyl-1-sulfanylcyclopentan-1-ol is sourced from PubChem (CID 151093273), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).