8-methoxy-2-methylidene-8-oxooctanoic acid

C10H16O4 — CID 170990538

IUPAC8-methoxy-2-methylidene-8-oxooctanoic acid
SMILESC=C(CCCCCC(=O)OC)C(=O)O
InChIInChI=1S/C10H16O4/c1-8(10(12)13)6-4-3-5-7-9(11)14-2/h1,3-7H2,2H3,(H,12,13)
InChIKeyFCDRMUCICOISTD-UHFFFAOYSA-N
MW200.23 g/mol
LogP1.75
Rot. Bonds7

About 8-methoxy-2-methylidene-8-oxooctanoic acid

8-methoxy-2-methylidene-8-oxooctanoic acid (PubChem CID 170990538) has the molecular formula C10H16O4 and a molecular weight of 200.23 g/mol. Its IUPAC name is 8-methoxy-2-methylidene-8-oxooctanoic acid.

Molecular Properties

Compound Name8-methoxy-2-methylidene-8-oxooctanoic acid
PubChem CID170990538
Molecular FormulaC10H16O4
Molecular Weight200.23 g/mol
Exact Mass200.10
IUPAC Name8-methoxy-2-methylidene-8-oxooctanoic acid
SMILESC=C(CCCCCC(=O)OC)C(=O)O
InChIInChI=1S/C10H16O4/c1-8(10(12)13)6-4-3-5-7-9(11)14-2/h1,3-7H2,2H3,(H,12,13)
InChIKeyFCDRMUCICOISTD-UHFFFAOYSA-N
XLogP1.75
TPSA63.60 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500200.23
LogP ≤ 51.75
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 8-methoxy-2-methylidene-8-oxooctanoic acid?
The IUPAC name of 8-methoxy-2-methylidene-8-oxooctanoic acid (CID 170990538) is 8-methoxy-2-methylidene-8-oxooctanoic acid.
What is the SMILES notation for 8-methoxy-2-methylidene-8-oxooctanoic acid?
The canonical SMILES for 8-methoxy-2-methylidene-8-oxooctanoic acid is C=C(CCCCCC(=O)OC)C(=O)O.
What is the InChIKey of 8-methoxy-2-methylidene-8-oxooctanoic acid?
The InChIKey is FCDRMUCICOISTD-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H16O4/c1-8(10(12)13)6-4-3-5-7-9(11)14-2/h1,3-7H2,2H3,(H,12,13).
What are the key properties of 8-methoxy-2-methylidene-8-oxooctanoic acid?
8-methoxy-2-methylidene-8-oxooctanoic acid has a molecular weight of 200.23 g/mol, XLogP of 1.75, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 8-methoxy-2-methylidene-8-oxooctanoic acid is sourced from PubChem (CID 170990538), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).