11-methyldodecanoic acid;phosphoric acid

C13H29O6P — CID 130194142

IUPAC11-methyldodecanoic acid;phosphoric acid
SMILESCC(C)CCCCCCCCCC(=O)O.O=P(O)(O)O
InChIInChI=1S/C13H26O2.H3O4P/c1-12(2)10-8-6-4-3-5-7-9-11-13(14)15;1-5(2,3)4/h12H,3-11H2,1-2H3,(H,14,15);(H3,1,2,3,4)
InChIKeyVWLLHDWJGQYFRO-UHFFFAOYSA-N
MW312.34 g/mol
LogP3.31
Rot. Bonds10

About 11-methyldodecanoic acid;phosphoric acid

11-methyldodecanoic acid;phosphoric acid (PubChem CID 130194142) has the molecular formula C13H29O6P and a molecular weight of 312.34 g/mol. Its IUPAC name is 11-methyldodecanoic acid;phosphoric acid.

Molecular Properties

Compound Name11-methyldodecanoic acid;phosphoric acid
PubChem CID130194142
Molecular FormulaC13H29O6P
Molecular Weight312.34 g/mol
Exact Mass312.17
IUPAC Name11-methyldodecanoic acid;phosphoric acid
SMILESCC(C)CCCCCCCCCC(=O)O.O=P(O)(O)O
InChIInChI=1S/C13H26O2.H3O4P/c1-12(2)10-8-6-4-3-5-7-9-11-13(14)15;1-5(2,3)4/h12H,3-11H2,1-2H3,(H,14,15);(H3,1,2,3,4)
InChIKeyVWLLHDWJGQYFRO-UHFFFAOYSA-N
XLogP3.31
TPSA115.06 Ų
H-Bond Donors4
H-Bond Acceptors2
Rotatable Bonds10
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500312.34
LogP ≤ 53.31
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

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CID 56844011
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6-methylheptanoic acid;vanadium
CID 174623955
gadolinium;tris(6-methylheptanoic acid)
CID 176895771
12,17-dimethyloctadecanoic acid
CID 123475021
methoxymethane;16-methylheptadecanoic acid
CID 175921970
sodium;hydride;6-methylheptanoic acid
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docosanoic acid;2-methylpentadecane
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Frequently Asked Questions

What is the IUPAC name of 11-methyldodecanoic acid;phosphoric acid?
The IUPAC name of 11-methyldodecanoic acid;phosphoric acid (CID 130194142) is 11-methyldodecanoic acid;phosphoric acid.
What is the SMILES notation for 11-methyldodecanoic acid;phosphoric acid?
The canonical SMILES for 11-methyldodecanoic acid;phosphoric acid is CC(C)CCCCCCCCCC(=O)O.O=P(O)(O)O.
What is the InChIKey of 11-methyldodecanoic acid;phosphoric acid?
The InChIKey is VWLLHDWJGQYFRO-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H26O2.H3O4P/c1-12(2)10-8-6-4-3-5-7-9-11-13(14)15;1-5(2,3)4/h12H,3-11H2,1-2H3,(H,14,15);(H3,1,2,3,4).
What are the key properties of 11-methyldodecanoic acid;phosphoric acid?
11-methyldodecanoic acid;phosphoric acid has a molecular weight of 312.34 g/mol, XLogP of 3.31, 10 rotatable bonds, 4 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 11-methyldodecanoic acid;phosphoric acid is sourced from PubChem (CID 130194142), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).