10-ethoxy-2-methylidene-10-oxodecanoic acid

C13H22O4 — CID 170990540

IUPAC10-ethoxy-2-methylidene-10-oxodecanoic acid
SMILESC=C(CCCCCCCC(=O)OCC)C(=O)O
InChIInChI=1S/C13H22O4/c1-3-17-12(14)10-8-6-4-5-7-9-11(2)13(15)16/h2-10H2,1H3,(H,15,16)
InChIKeyNLHBAEDJNAFJHZ-UHFFFAOYSA-N
MW242.31 g/mol
LogP2.92
Rot. Bonds10

About 10-ethoxy-2-methylidene-10-oxodecanoic acid

10-ethoxy-2-methylidene-10-oxodecanoic acid (PubChem CID 170990540) has the molecular formula C13H22O4 and a molecular weight of 242.31 g/mol. Its IUPAC name is 10-ethoxy-2-methylidene-10-oxodecanoic acid.

Molecular Properties

Compound Name10-ethoxy-2-methylidene-10-oxodecanoic acid
PubChem CID170990540
Molecular FormulaC13H22O4
Molecular Weight242.31 g/mol
Exact Mass242.15
IUPAC Name10-ethoxy-2-methylidene-10-oxodecanoic acid
SMILESC=C(CCCCCCCC(=O)OCC)C(=O)O
InChIInChI=1S/C13H22O4/c1-3-17-12(14)10-8-6-4-5-7-9-11(2)13(15)16/h2-10H2,1H3,(H,15,16)
InChIKeyNLHBAEDJNAFJHZ-UHFFFAOYSA-N
XLogP2.92
TPSA63.60 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds10
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500242.31
LogP ≤ 52.92
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 10-ethoxy-2-methylidene-10-oxodecanoic acid?
The IUPAC name of 10-ethoxy-2-methylidene-10-oxodecanoic acid (CID 170990540) is 10-ethoxy-2-methylidene-10-oxodecanoic acid.
What is the SMILES notation for 10-ethoxy-2-methylidene-10-oxodecanoic acid?
The canonical SMILES for 10-ethoxy-2-methylidene-10-oxodecanoic acid is C=C(CCCCCCCC(=O)OCC)C(=O)O.
What is the InChIKey of 10-ethoxy-2-methylidene-10-oxodecanoic acid?
The InChIKey is NLHBAEDJNAFJHZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H22O4/c1-3-17-12(14)10-8-6-4-5-7-9-11(2)13(15)16/h2-10H2,1H3,(H,15,16).
What are the key properties of 10-ethoxy-2-methylidene-10-oxodecanoic acid?
10-ethoxy-2-methylidene-10-oxodecanoic acid has a molecular weight of 242.31 g/mol, XLogP of 2.92, 10 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 10-ethoxy-2-methylidene-10-oxodecanoic acid is sourced from PubChem (CID 170990540), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).