4-ethoxytridecan-2-one

C15H30O2 — CID 89225856

IUPAC4-ethoxytridecan-2-one
SMILESCCCCCCCCCC(CC(C)=O)OCC
InChIInChI=1S/C15H30O2/c1-4-6-7-8-9-10-11-12-15(17-5-2)13-14(3)16/h15H,4-13H2,1-3H3
InChIKeyAPVQIHWJHAUYAF-UHFFFAOYSA-N
MW242.40 g/mol
LogP4.51
Rot. Bonds12

About 4-ethoxytridecan-2-one

4-ethoxytridecan-2-one (PubChem CID 89225856) has the molecular formula C15H30O2 and a molecular weight of 242.40 g/mol. Its IUPAC name is 4-ethoxytridecan-2-one.

Molecular Properties

Compound Name4-ethoxytridecan-2-one
PubChem CID89225856
Molecular FormulaC15H30O2
Molecular Weight242.40 g/mol
Exact Mass242.22
IUPAC Name4-ethoxytridecan-2-one
SMILESCCCCCCCCCC(CC(C)=O)OCC
InChIInChI=1S/C15H30O2/c1-4-6-7-8-9-10-11-12-15(17-5-2)13-14(3)16/h15H,4-13H2,1-3H3
InChIKeyAPVQIHWJHAUYAF-UHFFFAOYSA-N
XLogP4.51
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds12
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500242.40
LogP ≤ 54.51
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

4-methoxyundecan-2-one
CID 14005013
9-ethoxyoctadecane
CID 87148376
2-ethoxyoctyl hydrogen carbonate
CID 139923121
4-ethoxydodecane;sulfuric acid
CID 87841741
3-ethoxyundecan-2-one
CID 10262699
2-ethoxy-1-iododecane
CID 13149348
(4S,6S,8S)-4,6,8-tris[tris(trimethylsilyl)silyloxy]henicosan-2-one
CID 54762913
3-ethoxyoctyl hydrogen carbonate
CID 139923205
bis(hexane);4-pentylheptane-2,6-dione
CID 87439335
2-ethoxy-N-(2-ethoxydecyl)decan-1-amine
CID 155672905
(3S)-1,1,3-triethoxynonane
CID 3084722
(4R)-4-(2-methoxypropan-2-ylperoxy)nonan-2-one
CID 135060486

Frequently Asked Questions

What is the IUPAC name of 4-ethoxytridecan-2-one?
The IUPAC name of 4-ethoxytridecan-2-one (CID 89225856) is 4-ethoxytridecan-2-one.
What is the SMILES notation for 4-ethoxytridecan-2-one?
The canonical SMILES for 4-ethoxytridecan-2-one is CCCCCCCCCC(CC(C)=O)OCC.
What is the InChIKey of 4-ethoxytridecan-2-one?
The InChIKey is APVQIHWJHAUYAF-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H30O2/c1-4-6-7-8-9-10-11-12-15(17-5-2)13-14(3)16/h15H,4-13H2,1-3H3.
What are the key properties of 4-ethoxytridecan-2-one?
4-ethoxytridecan-2-one has a molecular weight of 242.40 g/mol, XLogP of 4.51, 12 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-ethoxytridecan-2-one is sourced from PubChem (CID 89225856), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).