2-methoxydecanoic acid

C11H22O3 — CID 549854

IUPAC2-methoxydecanoic acid
SMILESCCCCCCCCC(OC)C(=O)O
InChIInChI=1S/C11H22O3/c1-3-4-5-6-7-8-9-10(14-2)11(12)13/h10H,3-9H2,1-2H3,(H,12,13)
InChIKeyWMKSSGPYLVBYJC-UHFFFAOYSA-N
MW202.29 g/mol
LogP2.84
Rot. Bonds9

About 2-methoxydecanoic acid

2-methoxydecanoic acid (PubChem CID 549854) has the molecular formula C11H22O3 and a molecular weight of 202.29 g/mol. Its IUPAC name is 2-methoxydecanoic acid.

Molecular Properties

Compound Name2-methoxydecanoic acid
PubChem CID549854
Molecular FormulaC11H22O3
Molecular Weight202.29 g/mol
Exact Mass202.16
IUPAC Name2-methoxydecanoic acid
SMILESCCCCCCCCC(OC)C(=O)O
InChIInChI=1S/C11H22O3/c1-3-4-5-6-7-8-9-10(14-2)11(12)13/h10H,3-9H2,1-2H3,(H,12,13)
InChIKeyWMKSSGPYLVBYJC-UHFFFAOYSA-N
XLogP2.84
TPSA46.53 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds9
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500202.29
LogP ≤ 52.84
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 2-methoxydecanoic acid?
The IUPAC name of 2-methoxydecanoic acid (CID 549854) is 2-methoxydecanoic acid.
What is the SMILES notation for 2-methoxydecanoic acid?
The canonical SMILES for 2-methoxydecanoic acid is CCCCCCCCC(OC)C(=O)O.
What is the InChIKey of 2-methoxydecanoic acid?
The InChIKey is WMKSSGPYLVBYJC-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H22O3/c1-3-4-5-6-7-8-9-10(14-2)11(12)13/h10H,3-9H2,1-2H3,(H,12,13).
What are the key properties of 2-methoxydecanoic acid?
2-methoxydecanoic acid has a molecular weight of 202.29 g/mol, XLogP of 2.84, 9 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methoxydecanoic acid is sourced from PubChem (CID 549854), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).