5-ethylundecan-2-one

C13H26O — CID 90150873

IUPAC5-ethylundecan-2-one
SMILESCCCCCCC(CC)CCC(C)=O
InChIInChI=1S/C13H26O/c1-4-6-7-8-9-13(5-2)11-10-12(3)14/h13H,4-11H2,1-3H3
InChIKeyYZGKSNGTODOECV-UHFFFAOYSA-N
MW198.35 g/mol
LogP4.35
Rot. Bonds9

About 5-ethylundecan-2-one

5-ethylundecan-2-one (PubChem CID 90150873) has the molecular formula C13H26O and a molecular weight of 198.35 g/mol. Its IUPAC name is 5-ethylundecan-2-one.

Molecular Properties

Compound Name5-ethylundecan-2-one
PubChem CID90150873
Molecular FormulaC13H26O
Molecular Weight198.35 g/mol
Exact Mass198.20
IUPAC Name5-ethylundecan-2-one
SMILESCCCCCCC(CC)CCC(C)=O
InChIInChI=1S/C13H26O/c1-4-6-7-8-9-13(5-2)11-10-12(3)14/h13H,4-11H2,1-3H3
InChIKeyYZGKSNGTODOECV-UHFFFAOYSA-N
XLogP4.35
TPSA17.07 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds9
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500198.35
LogP ≤ 54.35
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

4-ethylnonanethioic S-acid
CID 57093694
9-ethyloctadecanoic acid
CID 11045212
7-ethyldodecanoic acid
CID 5282689
12-ethylhentriacontane
CID 91805956
15-ethyltetratriacontane
CID 23358557
7-ethyltetracosane
CID 22223872
7-ethyltetradecane
CID 529902
7-ethyltridecane;methane
CID 158982306
2-(6-ethylpentadecyl)propanedioic acid
CID 87568390
8-ethyl-10-sulfanyldecan-2-one
CID 90909179
sodium 9-ethyloctadecanoate
CID 23382374
4-ethylnonadecane
CID 22223766

Frequently Asked Questions

What is the IUPAC name of 5-ethylundecan-2-one?
The IUPAC name of 5-ethylundecan-2-one (CID 90150873) is 5-ethylundecan-2-one.
What is the SMILES notation for 5-ethylundecan-2-one?
The canonical SMILES for 5-ethylundecan-2-one is CCCCCCC(CC)CCC(C)=O.
What is the InChIKey of 5-ethylundecan-2-one?
The InChIKey is YZGKSNGTODOECV-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H26O/c1-4-6-7-8-9-13(5-2)11-10-12(3)14/h13H,4-11H2,1-3H3.
What are the key properties of 5-ethylundecan-2-one?
5-ethylundecan-2-one has a molecular weight of 198.35 g/mol, XLogP of 4.35, 9 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 5-ethylundecan-2-one is sourced from PubChem (CID 90150873), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).