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

C23H48O7S — CID 134163545

IUPAC1-[2-[2-[2-[2-(2-hydroxyethoxy)ethoxy]ethoxy]ethoxy]ethoxy]-13-sulfanyltridecan-2-ol
SMILESOCCOCCOCCOCCOCCOCC(O)CCCCCCCCCCCS
InChIInChI=1S/C23H48O7S/c24-11-12-26-13-14-27-15-16-28-17-18-29-19-20-30-22-23(25)10-8-6-4-2-1-3-5-7-9-21-31/h23-25,31H,1-22H2
InChIKeyANABEPYNUPWXTC-UHFFFAOYSA-N
MW468.70 g/mol
LogP3.25
Rot. Bonds27

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

1-[2-[2-[2-[2-(2-hydroxyethoxy)ethoxy]ethoxy]ethoxy]ethoxy]-13-sulfanyltridecan-2-ol (PubChem CID 134163545) has the molecular formula C23H48O7S and a molecular weight of 468.70 g/mol. Its IUPAC name is 1-[2-[2-[2-[2-(2-hydroxyethoxy)ethoxy]ethoxy]ethoxy]ethoxy]-13-sulfanyltridecan-2-ol.

Molecular Properties

Compound Name1-[2-[2-[2-[2-(2-hydroxyethoxy)ethoxy]ethoxy]ethoxy]ethoxy]-13-sulfanyltridecan-2-ol
PubChem CID134163545
Molecular FormulaC23H48O7S
Molecular Weight468.70 g/mol
Exact Mass468.31
IUPAC Name1-[2-[2-[2-[2-(2-hydroxyethoxy)ethoxy]ethoxy]ethoxy]ethoxy]-13-sulfanyltridecan-2-ol
SMILESOCCOCCOCCOCCOCCOCC(O)CCCCCCCCCCCS
InChIInChI=1S/C23H48O7S/c24-11-12-26-13-14-27-15-16-28-17-18-29-19-20-30-22-23(25)10-8-6-4-2-1-3-5-7-9-21-31/h23-25,31H,1-22H2
InChIKeyANABEPYNUPWXTC-UHFFFAOYSA-N
XLogP3.25
TPSA86.61 Ų
H-Bond Donors3
H-Bond Acceptors8
Rotatable Bonds27
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500468.70
LogP ≤ 53.25
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 108

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-[2-(2-hydroxyethoxy)ethoxy]ethoxy]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

Related Compounds

butanedioic acid;1-[2-(2-hydroxyethoxy)ethoxy]-13-sulfanyltridecan-2-ol
CID 87720092
1,8-bis[2-(2-hydroxyethoxy)ethoxy]octane-2,7-diol
CID 142397445
1-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-(2-hydroxyethoxy)ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]tetradecan-2-ol
CID 139267706
1-[2-[2-[2-[2-[2-[2-[2-[2-(2-hydroxyethoxy)ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]heptan-2-ol
CID 140523672
azane;1-[2-(2-hydroxyethoxy)ethoxy]tetradecan-2-ol;hydrate
CID 173484113
1-[2-[2-[2-[2-[2-[2-[2-[2-(2-hydroxyethoxy)ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]hexan-2-ol
CID 140523631
azane;1-[2-(2-hydroxyethoxy)ethoxy]hexan-2-ol
CID 87459588
2-(6-sulfanylhexoxy)ethanol
CID 88540112
disodium;1-[2-(2-hydroxyethoxy)ethoxy]tetradecan-2-ol;sulfate
CID 172848066
5-amino-1-(2-hydroxyethoxy)pentan-2-ol
CID 21493098
1,8-dimethanidyloxyoctane-2,7-diol;bis(1,3-dimethanidyloxypropan-2-ol);bis(1-(2-hydroxyethoxy)-3-methanidyloxypropan-2-ol);tetrakis(rutherfordium)
CID 177274110
1-[2-[2-[2-[2-[2-[2-(2-hydroxyethoxy)ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]-5-methylhexan-2-ol
CID 140523651

Frequently Asked Questions

What is the IUPAC name of 1-[2-[2-[2-[2-(2-hydroxyethoxy)ethoxy]ethoxy]ethoxy]ethoxy]-13-sulfanyltridecan-2-ol?
The IUPAC name of 1-[2-[2-[2-[2-(2-hydroxyethoxy)ethoxy]ethoxy]ethoxy]ethoxy]-13-sulfanyltridecan-2-ol (CID 134163545) is 1-[2-[2-[2-[2-(2-hydroxyethoxy)ethoxy]ethoxy]ethoxy]ethoxy]-13-sulfanyltridecan-2-ol.
What is the SMILES notation for 1-[2-[2-[2-[2-(2-hydroxyethoxy)ethoxy]ethoxy]ethoxy]ethoxy]-13-sulfanyltridecan-2-ol?
The canonical SMILES for 1-[2-[2-[2-[2-(2-hydroxyethoxy)ethoxy]ethoxy]ethoxy]ethoxy]-13-sulfanyltridecan-2-ol is OCCOCCOCCOCCOCCOCC(O)CCCCCCCCCCCS.
What is the InChIKey of 1-[2-[2-[2-[2-(2-hydroxyethoxy)ethoxy]ethoxy]ethoxy]ethoxy]-13-sulfanyltridecan-2-ol?
The InChIKey is ANABEPYNUPWXTC-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H48O7S/c24-11-12-26-13-14-27-15-16-28-17-18-29-19-20-30-22-23(25)10-8-6-4-2-1-3-5-7-9-21-31/h23-25,31H,1-22H2.
What are the key properties of 1-[2-[2-[2-[2-(2-hydroxyethoxy)ethoxy]ethoxy]ethoxy]ethoxy]-13-sulfanyltridecan-2-ol?
1-[2-[2-[2-[2-(2-hydroxyethoxy)ethoxy]ethoxy]ethoxy]ethoxy]-13-sulfanyltridecan-2-ol has a molecular weight of 468.70 g/mol, XLogP of 3.25, 27 rotatable bonds, 3 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-[2-[2-[2-(2-hydroxyethoxy)ethoxy]ethoxy]ethoxy]ethoxy]-13-sulfanyltridecan-2-ol is sourced from PubChem (CID 134163545), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).