17-ethoxyoctadecan-2-one

C20H40O2 — CID 87111169

IUPAC17-ethoxyoctadecan-2-one
SMILESCCOC(C)CCCCCCCCCCCCCCC(C)=O
InChIInChI=1S/C20H40O2/c1-4-22-20(3)18-16-14-12-10-8-6-5-7-9-11-13-15-17-19(2)21/h20H,4-18H2,1-3H3
InChIKeyCDMXBDHMGDTIOD-UHFFFAOYSA-N
MW312.54 g/mol
LogP6.46
Rot. Bonds17

About 17-ethoxyoctadecan-2-one

17-ethoxyoctadecan-2-one (PubChem CID 87111169) has the molecular formula C20H40O2 and a molecular weight of 312.54 g/mol. Its IUPAC name is 17-ethoxyoctadecan-2-one.

Molecular Properties

Compound Name17-ethoxyoctadecan-2-one
PubChem CID87111169
Molecular FormulaC20H40O2
Molecular Weight312.54 g/mol
Exact Mass312.30
IUPAC Name17-ethoxyoctadecan-2-one
SMILESCCOC(C)CCCCCCCCCCCCCCC(C)=O
InChIInChI=1S/C20H40O2/c1-4-22-20(3)18-16-14-12-10-8-6-5-7-9-11-13-15-17-19(2)21/h20H,4-18H2,1-3H3
InChIKeyCDMXBDHMGDTIOD-UHFFFAOYSA-N
XLogP6.46
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds17
Heavy Atoms22
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500312.54
LogP ≤ 56.46
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

6-octan-2-yloxyhexan-2-one
CID 43793687
18-methylnonadecan-2-one
CID 90921447
2-ethoxytridecane
CID 54143367
8-methylnonan-2-one
CID 528744
7-oxooctan-2-yl 2-ethylbutanoate
CID 130260747
17-methylpentacosan-2-one
CID 57068605
8-methylundecan-2-one
CID 19847213
docosane-2,21-dione
CID 537416
pentadecane-2,14-dione
CID 10966641
sodium;2-ethoxydodecane;hydride;sulfuric acid
CID 173094460
18,18-dihydroxyoctadecan-2-one
CID 123837048
14-methylpentadecane-2,8-dione
CID 159096890

Frequently Asked Questions

What is the IUPAC name of 17-ethoxyoctadecan-2-one?
The IUPAC name of 17-ethoxyoctadecan-2-one (CID 87111169) is 17-ethoxyoctadecan-2-one.
What is the SMILES notation for 17-ethoxyoctadecan-2-one?
The canonical SMILES for 17-ethoxyoctadecan-2-one is CCOC(C)CCCCCCCCCCCCCCC(C)=O.
What is the InChIKey of 17-ethoxyoctadecan-2-one?
The InChIKey is CDMXBDHMGDTIOD-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H40O2/c1-4-22-20(3)18-16-14-12-10-8-6-5-7-9-11-13-15-17-19(2)21/h20H,4-18H2,1-3H3.
What are the key properties of 17-ethoxyoctadecan-2-one?
17-ethoxyoctadecan-2-one has a molecular weight of 312.54 g/mol, XLogP of 6.46, 17 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 17-ethoxyoctadecan-2-one is sourced from PubChem (CID 87111169), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).