9-ethoxyoctadecane

C20H42O — CID 87148376

IUPAC9-ethoxyoctadecane
SMILESCCCCCCCCCC(CCCCCCCC)OCC
InChIInChI=1S/C20H42O/c1-4-7-9-11-13-15-17-19-20(21-6-3)18-16-14-12-10-8-5-2/h20H,4-19H2,1-3H3
InChIKeyYOOZECFEWBDPSR-UHFFFAOYSA-N
MW298.55 g/mol
LogP7.28
Rot. Bonds17

About 9-ethoxyoctadecane

9-ethoxyoctadecane (PubChem CID 87148376) has the molecular formula C20H42O and a molecular weight of 298.55 g/mol. Its IUPAC name is 9-ethoxyoctadecane.

Molecular Properties

Compound Name9-ethoxyoctadecane
PubChem CID87148376
Molecular FormulaC20H42O
Molecular Weight298.55 g/mol
Exact Mass298.32
IUPAC Name9-ethoxyoctadecane
SMILESCCCCCCCCCC(CCCCCCCC)OCC
InChIInChI=1S/C20H42O/c1-4-7-9-11-13-15-17-19-20(21-6-3)18-16-14-12-10-8-5-2/h20H,4-19H2,1-3H3
InChIKeyYOOZECFEWBDPSR-UHFFFAOYSA-N
XLogP7.28
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds17
Heavy Atoms21
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500298.55
LogP ≤ 57.28
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

5-ethoxynonane
CID 91187482
1,4-diethoxydecane
CID 140997951
2-ethoxy-1-iododecane
CID 13149348
(3S)-1,1,3-triethoxynonane
CID 3084722
2-ethoxy-N-(2-ethoxydecyl)decan-1-amine
CID 155672905
4-ethoxydodecane;sulfuric acid
CID 87841741
1,6-diethoxydecane
CID 150917298
6-octoxyundecane
CID 20520524
10-decoxyicosane
CID 150196888
1-butoxy-6-ethoxynonane
CID 90996810
sodium 3-ethoxydodecane-1-sulfonate
CID 175686206
4-ethoxytridecan-2-one
CID 89225856

Frequently Asked Questions

What is the IUPAC name of 9-ethoxyoctadecane?
The IUPAC name of 9-ethoxyoctadecane (CID 87148376) is 9-ethoxyoctadecane.
What is the SMILES notation for 9-ethoxyoctadecane?
The canonical SMILES for 9-ethoxyoctadecane is CCCCCCCCCC(CCCCCCCC)OCC.
What is the InChIKey of 9-ethoxyoctadecane?
The InChIKey is YOOZECFEWBDPSR-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H42O/c1-4-7-9-11-13-15-17-19-20(21-6-3)18-16-14-12-10-8-5-2/h20H,4-19H2,1-3H3.
What are the key properties of 9-ethoxyoctadecane?
9-ethoxyoctadecane has a molecular weight of 298.55 g/mol, XLogP of 7.28, 17 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 9-ethoxyoctadecane is sourced from PubChem (CID 87148376), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).