1-[2-[2-(2-hydroxyethoxy)ethoxy]ethoxy]-13-sulfanyltridecan-2-ol

C19H40O5S — CID 44544120

IUPAC1-[2-[2-(2-hydroxyethoxy)ethoxy]ethoxy]-13-sulfanyltridecan-2-ol
SMILESOCCOCCOCCOCC(O)CCCCCCCCCCCS
InChIInChI=1S/C19H40O5S/c20-11-12-22-13-14-23-15-16-24-18-19(21)10-8-6-4-2-1-3-5-7-9-17-25/h19-21,25H,1-18H2
InChIKeyPJDLODHBZQUKHE-UHFFFAOYSA-N
MW380.59 g/mol
LogP3.22
Rot. Bonds21

About 1-[2-[2-(2-hydroxyethoxy)ethoxy]ethoxy]-13-sulfanyltridecan-2-ol

1-[2-[2-(2-hydroxyethoxy)ethoxy]ethoxy]-13-sulfanyltridecan-2-ol (PubChem CID 44544120) has the molecular formula C19H40O5S and a molecular weight of 380.59 g/mol. Its IUPAC name is 1-[2-[2-(2-hydroxyethoxy)ethoxy]ethoxy]-13-sulfanyltridecan-2-ol.

Molecular Properties

Compound Name1-[2-[2-(2-hydroxyethoxy)ethoxy]ethoxy]-13-sulfanyltridecan-2-ol
PubChem CID44544120
Molecular FormulaC19H40O5S
Molecular Weight380.59 g/mol
Exact Mass380.26
IUPAC Name1-[2-[2-(2-hydroxyethoxy)ethoxy]ethoxy]-13-sulfanyltridecan-2-ol
SMILESOCCOCCOCCOCC(O)CCCCCCCCCCCS
InChIInChI=1S/C19H40O5S/c20-11-12-22-13-14-23-15-16-24-18-19(21)10-8-6-4-2-1-3-5-7-9-17-25/h19-21,25H,1-18H2
InChIKeyPJDLODHBZQUKHE-UHFFFAOYSA-N
XLogP3.22
TPSA68.15 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds21
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500380.59
LogP ≤ 53.22
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

Analyze 1-[2-[2-(2-hydroxyethoxy)ethoxy]ethoxy]-13-sulfanyltridecan-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 1-[2-[2-(2-hydroxyethoxy)ethoxy]ethoxy]-13-sulfanyltridecan-2-ol?
The IUPAC name of 1-[2-[2-(2-hydroxyethoxy)ethoxy]ethoxy]-13-sulfanyltridecan-2-ol (CID 44544120) is 1-[2-[2-(2-hydroxyethoxy)ethoxy]ethoxy]-13-sulfanyltridecan-2-ol.
What is the SMILES notation for 1-[2-[2-(2-hydroxyethoxy)ethoxy]ethoxy]-13-sulfanyltridecan-2-ol?
The canonical SMILES for 1-[2-[2-(2-hydroxyethoxy)ethoxy]ethoxy]-13-sulfanyltridecan-2-ol is OCCOCCOCCOCC(O)CCCCCCCCCCCS.
What is the InChIKey of 1-[2-[2-(2-hydroxyethoxy)ethoxy]ethoxy]-13-sulfanyltridecan-2-ol?
The InChIKey is PJDLODHBZQUKHE-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H40O5S/c20-11-12-22-13-14-23-15-16-24-18-19(21)10-8-6-4-2-1-3-5-7-9-17-25/h19-21,25H,1-18H2.
What are the key properties of 1-[2-[2-(2-hydroxyethoxy)ethoxy]ethoxy]-13-sulfanyltridecan-2-ol?
1-[2-[2-(2-hydroxyethoxy)ethoxy]ethoxy]-13-sulfanyltridecan-2-ol has a molecular weight of 380.59 g/mol, XLogP of 3.22, 21 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-[2-(2-hydroxyethoxy)ethoxy]ethoxy]-13-sulfanyltridecan-2-ol is sourced from PubChem (CID 44544120), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).