10-ethoxy-3-ethyl-10-oxodecanoic acid

C14H26O4 — CID 89315767

IUPAC10-ethoxy-3-ethyl-10-oxodecanoic acid
SMILESCCOC(=O)CCCCCCC(CC)CC(=O)O
InChIInChI=1S/C14H26O4/c1-3-12(11-13(15)16)9-7-5-6-8-10-14(17)18-4-2/h12H,3-11H2,1-2H3,(H,15,16)
InChIKeyVDQWQKUVBYGQCZ-UHFFFAOYSA-N
MW258.36 g/mol
LogP3.39
Rot. Bonds11

About 10-ethoxy-3-ethyl-10-oxodecanoic acid

10-ethoxy-3-ethyl-10-oxodecanoic acid (PubChem CID 89315767) has the molecular formula C14H26O4 and a molecular weight of 258.36 g/mol. Its IUPAC name is 10-ethoxy-3-ethyl-10-oxodecanoic acid.

Molecular Properties

Compound Name10-ethoxy-3-ethyl-10-oxodecanoic acid
PubChem CID89315767
Molecular FormulaC14H26O4
Molecular Weight258.36 g/mol
Exact Mass258.18
IUPAC Name10-ethoxy-3-ethyl-10-oxodecanoic acid
SMILESCCOC(=O)CCCCCCC(CC)CC(=O)O
InChIInChI=1S/C14H26O4/c1-3-12(11-13(15)16)9-7-5-6-8-10-14(17)18-4-2/h12H,3-11H2,1-2H3,(H,15,16)
InChIKeyVDQWQKUVBYGQCZ-UHFFFAOYSA-N
XLogP3.39
TPSA63.60 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds11
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500258.36
LogP ≤ 53.39
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

3-ethyl-16-(2-ethylhexoxy)-16-oxohexadecanoic acid
CID 174745096
ethyl 5-ethylheptanoate
CID 57319942
ethyl 6-pentylpentadecanoate
CID 86165388
dipropyl 3-ethylpentadecanedioate
CID 87116474
dipropyl 3-ethylicosanedioate
CID 87117792
dibutyl 3-ethyltridecanedioate
CID 87116234
3-ethylhexadecanoic acid
CID 14298660
21-ethoxy-21-oxohenicosanoic acid
CID 155487301
23-ethoxy-23-oxotricosanoic acid
CID 67326593
diethyl icosanedioate
CID 5058538
bis(2-ethylhexyl) 3-ethyltetradecanedioate
CID 89440286
dioctyl 3-ethyltridecanedioate
CID 87117223

Frequently Asked Questions

What is the IUPAC name of 10-ethoxy-3-ethyl-10-oxodecanoic acid?
The IUPAC name of 10-ethoxy-3-ethyl-10-oxodecanoic acid (CID 89315767) is 10-ethoxy-3-ethyl-10-oxodecanoic acid.
What is the SMILES notation for 10-ethoxy-3-ethyl-10-oxodecanoic acid?
The canonical SMILES for 10-ethoxy-3-ethyl-10-oxodecanoic acid is CCOC(=O)CCCCCCC(CC)CC(=O)O.
What is the InChIKey of 10-ethoxy-3-ethyl-10-oxodecanoic acid?
The InChIKey is VDQWQKUVBYGQCZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H26O4/c1-3-12(11-13(15)16)9-7-5-6-8-10-14(17)18-4-2/h12H,3-11H2,1-2H3,(H,15,16).
What are the key properties of 10-ethoxy-3-ethyl-10-oxodecanoic acid?
10-ethoxy-3-ethyl-10-oxodecanoic acid has a molecular weight of 258.36 g/mol, XLogP of 3.39, 11 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 10-ethoxy-3-ethyl-10-oxodecanoic acid is sourced from PubChem (CID 89315767), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).