1-[2-(2-ethylhexoxy)ethoxy]decan-2-ol

C20H42O3 — CID 165350340

IUPAC1-[2-(2-ethylhexoxy)ethoxy]decan-2-ol
SMILESCCCCCCCCC(O)COCCOCC(CC)CCCC
InChIInChI=1S/C20H42O3/c1-4-7-9-10-11-12-14-20(21)18-23-16-15-22-17-19(6-3)13-8-5-2/h19-21H,4-18H2,1-3H3
InChIKeyZYXNRZKEWGFDPH-UHFFFAOYSA-N
MW330.55 g/mol
LogP5.35
Rot. Bonds18

About 1-[2-(2-ethylhexoxy)ethoxy]decan-2-ol

1-[2-(2-ethylhexoxy)ethoxy]decan-2-ol (PubChem CID 165350340) has the molecular formula C20H42O3 and a molecular weight of 330.55 g/mol. Its IUPAC name is 1-[2-(2-ethylhexoxy)ethoxy]decan-2-ol.

Molecular Properties

Compound Name1-[2-(2-ethylhexoxy)ethoxy]decan-2-ol
PubChem CID165350340
Molecular FormulaC20H42O3
Molecular Weight330.55 g/mol
Exact Mass330.31
IUPAC Name1-[2-(2-ethylhexoxy)ethoxy]decan-2-ol
SMILESCCCCCCCCC(O)COCCOCC(CC)CCCC
InChIInChI=1S/C20H42O3/c1-4-7-9-10-11-12-14-20(21)18-23-16-15-22-17-19(6-3)13-8-5-2/h19-21H,4-18H2,1-3H3
InChIKeyZYXNRZKEWGFDPH-UHFFFAOYSA-N
XLogP5.35
TPSA38.69 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds18
Heavy Atoms23
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500330.55
LogP ≤ 55.35
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

Analyze 1-[2-(2-ethylhexoxy)ethoxy]decan-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

1-[2-(2-hydroxydodecoxy)ethoxy]dodecan-2-ol
CID 11796902
1-[4-[2-[2-(2-ethylhexoxy)ethoxy]ethoxy]butoxy]dodecane
CID 129302674
1-octoxydecan-2-ol
CID 57119039
1-octadecoxyicosan-2-ol
CID 88758338
3-(2-ethyloctoxy)propane-1,2-diol
CID 23105906
3-[2-(2-methylhexoxy)ethoxymethyl]octane
CID 171470353
decane;ethane;1-(2-ethyloctoxy)tetradecane
CID 155743358
CID 88753128
CID 88753128
7-(2-ethylhexoxymethyl)pentadecane
CID 134599291
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-methoxyethoxy)ethoxy]octan-2-ol
CID 150741605
17-(hexadecoxymethyl)tritriacontan-15-ol
CID 139727197

Frequently Asked Questions

What is the IUPAC name of 1-[2-(2-ethylhexoxy)ethoxy]decan-2-ol?
The IUPAC name of 1-[2-(2-ethylhexoxy)ethoxy]decan-2-ol (CID 165350340) is 1-[2-(2-ethylhexoxy)ethoxy]decan-2-ol.
What is the SMILES notation for 1-[2-(2-ethylhexoxy)ethoxy]decan-2-ol?
The canonical SMILES for 1-[2-(2-ethylhexoxy)ethoxy]decan-2-ol is CCCCCCCCC(O)COCCOCC(CC)CCCC.
What is the InChIKey of 1-[2-(2-ethylhexoxy)ethoxy]decan-2-ol?
The InChIKey is ZYXNRZKEWGFDPH-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H42O3/c1-4-7-9-10-11-12-14-20(21)18-23-16-15-22-17-19(6-3)13-8-5-2/h19-21H,4-18H2,1-3H3.
What are the key properties of 1-[2-(2-ethylhexoxy)ethoxy]decan-2-ol?
1-[2-(2-ethylhexoxy)ethoxy]decan-2-ol has a molecular weight of 330.55 g/mol, XLogP of 5.35, 18 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-(2-ethylhexoxy)ethoxy]decan-2-ol is sourced from PubChem (CID 165350340), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).