4-pentoxythiolan-3-ol

C9H18O2S — CID 18953123

IUPAC4-pentoxythiolan-3-ol
SMILESCCCCCOC1CSCC1O
InChIInChI=1S/C9H18O2S/c1-2-3-4-5-11-9-7-12-6-8(9)10/h8-10H,2-7H2,1H3
InChIKeyOBIWQOSFZCKXKP-UHFFFAOYSA-N
MW190.31 g/mol
LogP1.67
Rot. Bonds5

About 4-pentoxythiolan-3-ol

4-pentoxythiolan-3-ol (PubChem CID 18953123) has the molecular formula C9H18O2S and a molecular weight of 190.31 g/mol. Its IUPAC name is 4-pentoxythiolan-3-ol.

Molecular Properties

Compound Name4-pentoxythiolan-3-ol
PubChem CID18953123
Molecular FormulaC9H18O2S
Molecular Weight190.31 g/mol
Exact Mass190.10
IUPAC Name4-pentoxythiolan-3-ol
SMILESCCCCCOC1CSCC1O
InChIInChI=1S/C9H18O2S/c1-2-3-4-5-11-9-7-12-6-8(9)10/h8-10H,2-7H2,1H3
InChIKeyOBIWQOSFZCKXKP-UHFFFAOYSA-N
XLogP1.67
TPSA29.46 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500190.31
LogP ≤ 51.67
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

Analyze 4-pentoxythiolan-3-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 4-pentoxythiolan-3-ol?
The IUPAC name of 4-pentoxythiolan-3-ol (CID 18953123) is 4-pentoxythiolan-3-ol.
What is the SMILES notation for 4-pentoxythiolan-3-ol?
The canonical SMILES for 4-pentoxythiolan-3-ol is CCCCCOC1CSCC1O.
What is the InChIKey of 4-pentoxythiolan-3-ol?
The InChIKey is OBIWQOSFZCKXKP-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H18O2S/c1-2-3-4-5-11-9-7-12-6-8(9)10/h8-10H,2-7H2,1H3.
What are the key properties of 4-pentoxythiolan-3-ol?
4-pentoxythiolan-3-ol has a molecular weight of 190.31 g/mol, XLogP of 1.67, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-pentoxythiolan-3-ol is sourced from PubChem (CID 18953123), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).