9,9-dimethoxynonanoic acid

C11H22O4 — CID 11020360

IUPAC9,9-dimethoxynonanoic acid
SMILESCOC(CCCCCCCC(=O)O)OC
InChIInChI=1S/C11H22O4/c1-14-11(15-2)9-7-5-3-4-6-8-10(12)13/h11H,3-9H2,1-2H3,(H,12,13)
InChIKeyXDIISQHQFQMEIB-UHFFFAOYSA-N
MW218.29 g/mol
LogP2.42
Rot. Bonds10

About 9,9-dimethoxynonanoic acid

9,9-dimethoxynonanoic acid (PubChem CID 11020360) has the molecular formula C11H22O4 and a molecular weight of 218.29 g/mol. Its IUPAC name is 9,9-dimethoxynonanoic acid.

Molecular Properties

Compound Name9,9-dimethoxynonanoic acid
PubChem CID11020360
Molecular FormulaC11H22O4
Molecular Weight218.29 g/mol
Exact Mass218.15
IUPAC Name9,9-dimethoxynonanoic acid
SMILESCOC(CCCCCCCC(=O)O)OC
InChIInChI=1S/C11H22O4/c1-14-11(15-2)9-7-5-3-4-6-8-10(12)13/h11H,3-9H2,1-2H3,(H,12,13)
InChIKeyXDIISQHQFQMEIB-UHFFFAOYSA-N
XLogP2.42
TPSA55.76 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds10
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500218.29
LogP ≤ 52.42
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'het-C-het_not_in_ring', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 9,9-dimethoxynonanoic acid?
The IUPAC name of 9,9-dimethoxynonanoic acid (CID 11020360) is 9,9-dimethoxynonanoic acid.
What is the SMILES notation for 9,9-dimethoxynonanoic acid?
The canonical SMILES for 9,9-dimethoxynonanoic acid is COC(CCCCCCCC(=O)O)OC.
What is the InChIKey of 9,9-dimethoxynonanoic acid?
The InChIKey is XDIISQHQFQMEIB-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H22O4/c1-14-11(15-2)9-7-5-3-4-6-8-10(12)13/h11H,3-9H2,1-2H3,(H,12,13).
What are the key properties of 9,9-dimethoxynonanoic acid?
9,9-dimethoxynonanoic acid has a molecular weight of 218.29 g/mol, XLogP of 2.42, 10 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 9,9-dimethoxynonanoic acid is sourced from PubChem (CID 11020360), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).