18-hydroxyoctadecanethial

C18H36OS — CID 19068352

IUPAC18-hydroxyoctadecanethial
SMILESOCCCCCCCCCCCCCCCCCC=S
InChIInChI=1S/C18H36OS/c19-17-15-13-11-9-7-5-3-1-2-4-6-8-10-12-14-16-18-20/h18-19H,1-17H2
InChIKeyMEBCTUBWMCJHBL-UHFFFAOYSA-N
MW300.55 g/mol
LogP6.22
Rot. Bonds17

About 18-hydroxyoctadecanethial

18-hydroxyoctadecanethial (PubChem CID 19068352) has the molecular formula C18H36OS and a molecular weight of 300.55 g/mol. Its IUPAC name is 18-hydroxyoctadecanethial.

Molecular Properties

Compound Name18-hydroxyoctadecanethial
PubChem CID19068352
Molecular FormulaC18H36OS
Molecular Weight300.55 g/mol
Exact Mass300.25
IUPAC Name18-hydroxyoctadecanethial
SMILESOCCCCCCCCCCCCCCCCCC=S
InChIInChI=1S/C18H36OS/c19-17-15-13-11-9-7-5-3-1-2-4-6-8-10-12-14-16-18-20/h18-19H,1-17H2
InChIKeyMEBCTUBWMCJHBL-UHFFFAOYSA-N
XLogP6.22
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds17
Heavy Atoms20
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500300.55
LogP ≤ 56.22
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'thio_aldehyd_A(3)', 'substructure': 'N/A'}, {'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'Thiocarbonyl_group', 'substructure': 'N/A'}

Analyze 18-hydroxyoctadecanethial 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 18-hydroxyoctadecanethial?
The IUPAC name of 18-hydroxyoctadecanethial (CID 19068352) is 18-hydroxyoctadecanethial.
What is the SMILES notation for 18-hydroxyoctadecanethial?
The canonical SMILES for 18-hydroxyoctadecanethial is OCCCCCCCCCCCCCCCCCC=S.
What is the InChIKey of 18-hydroxyoctadecanethial?
The InChIKey is MEBCTUBWMCJHBL-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H36OS/c19-17-15-13-11-9-7-5-3-1-2-4-6-8-10-12-14-16-18-20/h18-19H,1-17H2.
What are the key properties of 18-hydroxyoctadecanethial?
18-hydroxyoctadecanethial has a molecular weight of 300.55 g/mol, XLogP of 6.22, 17 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 18-hydroxyoctadecanethial is sourced from PubChem (CID 19068352), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).