3-ethoxyundecan-2-one

C13H26O2 — CID 10262699

IUPAC3-ethoxyundecan-2-one
SMILESCCCCCCCCC(OCC)C(C)=O
InChIInChI=1S/C13H26O2/c1-4-6-7-8-9-10-11-13(12(3)14)15-5-2/h13H,4-11H2,1-3H3
InChIKeyJAVLSOCPJLFOSB-UHFFFAOYSA-N
MW214.35 g/mol
LogP3.73
Rot. Bonds10

About 3-ethoxyundecan-2-one

3-ethoxyundecan-2-one (PubChem CID 10262699) has the molecular formula C13H26O2 and a molecular weight of 214.35 g/mol. Its IUPAC name is 3-ethoxyundecan-2-one.

Molecular Properties

Compound Name3-ethoxyundecan-2-one
PubChem CID10262699
Molecular FormulaC13H26O2
Molecular Weight214.35 g/mol
Exact Mass214.19
IUPAC Name3-ethoxyundecan-2-one
SMILESCCCCCCCCC(OCC)C(C)=O
InChIInChI=1S/C13H26O2/c1-4-6-7-8-9-10-11-13(12(3)14)15-5-2/h13H,4-11H2,1-3H3
InChIKeyJAVLSOCPJLFOSB-UHFFFAOYSA-N
XLogP3.73
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds10
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500214.35
LogP ≤ 53.73
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

2-ethoxyicosanoic acid
CID 86106777
(3S)-3-(methoxymethoxy)decan-2-one
CID 101223791
2-ethoxy-1-silylundecan-1-one
CID 174059863
2-ethoxyoctanamide
CID 174492663
[(3S)-2-oxooctan-3-yl] acetate
CID 134963991
4-ethoxyoctan-3-one
CID 83226323
4-ethoxytridecan-2-one
CID 89225856
ethyl 2-acetyltridecanoate
CID 539486
cerium(3+);tris(2-ethoxyhexanoate)
CID 22559432
3-[tert-butyl(dimethyl)silyl]oxyoctadecan-2-one
CID 46237114
3-pentylnonan-2-one
CID 21290467
(2S)-2-acetyloxydodecanoic acid
CID 90302969

Frequently Asked Questions

What is the IUPAC name of 3-ethoxyundecan-2-one?
The IUPAC name of 3-ethoxyundecan-2-one (CID 10262699) is 3-ethoxyundecan-2-one.
What is the SMILES notation for 3-ethoxyundecan-2-one?
The canonical SMILES for 3-ethoxyundecan-2-one is CCCCCCCCC(OCC)C(C)=O.
What is the InChIKey of 3-ethoxyundecan-2-one?
The InChIKey is JAVLSOCPJLFOSB-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H26O2/c1-4-6-7-8-9-10-11-13(12(3)14)15-5-2/h13H,4-11H2,1-3H3.
What are the key properties of 3-ethoxyundecan-2-one?
3-ethoxyundecan-2-one has a molecular weight of 214.35 g/mol, XLogP of 3.73, 10 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-ethoxyundecan-2-one is sourced from PubChem (CID 10262699), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).