5,11-dimethylpentadeca-3,12-diene-1,6,15-tricarboxylic acid

C20H32O6 — CID 175055510

IUPAC5,11-dimethylpentadeca-3,12-diene-1,6,15-tricarboxylic acid
SMILESCC(C=CCCC(=O)O)CCCCC(C(=O)O)C(C)C=CCCC(=O)O
InChIInChI=1S/C20H32O6/c1-15(10-4-7-13-18(21)22)9-3-6-12-17(20(25)26)16(2)11-5-8-14-19(23)24/h4-5,10-11,15-17H,3,6-9,12-14H2,1-2H3,(H,21,22)(H,23,24)(H,25,26)
InChIKeyVDWKXLOBLDHFDP-UHFFFAOYSA-N
MW368.47 g/mol
LogP4.36
Rot. Bonds15

About 5,11-dimethylpentadeca-3,12-diene-1,6,15-tricarboxylic acid

5,11-dimethylpentadeca-3,12-diene-1,6,15-tricarboxylic acid (PubChem CID 175055510) has the molecular formula C20H32O6 and a molecular weight of 368.47 g/mol. Its IUPAC name is 5,11-dimethylpentadeca-3,12-diene-1,6,15-tricarboxylic acid.

Molecular Properties

Compound Name5,11-dimethylpentadeca-3,12-diene-1,6,15-tricarboxylic acid
PubChem CID175055510
Molecular FormulaC20H32O6
Molecular Weight368.47 g/mol
Exact Mass368.22
IUPAC Name5,11-dimethylpentadeca-3,12-diene-1,6,15-tricarboxylic acid
SMILESCC(C=CCCC(=O)O)CCCCC(C(=O)O)C(C)C=CCCC(=O)O
InChIInChI=1S/C20H32O6/c1-15(10-4-7-13-18(21)22)9-3-6-12-17(20(25)26)16(2)11-5-8-14-19(23)24/h4-5,10-11,15-17H,3,6-9,12-14H2,1-2H3,(H,21,22)(H,23,24)(H,25,26)
InChIKeyVDWKXLOBLDHFDP-UHFFFAOYSA-N
XLogP4.36
TPSA111.90 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds15
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500368.47
LogP ≤ 54.36
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

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(Z)-6-methylhept-4-enoic acid
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12-methyl-2-tetradecylicos-13-enoic acid
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(8S,9R)-9-hydroxy-8-methyltridec-6-enoic acid
CID 54091133
7-hydroxy-14-methyldocosa-4,8,10,12,19-pentaenoic acid
CID 91062664
(E,7R,8S,18S)-7-hydroxy-8,18-dimethylicos-9-enoic acid
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2-propan-2-ylheptadecanedioic acid;dihydrochloride
CID 89462936
hexadecane-1,6,7,16-tetracarboxylic acid
CID 90941074

Frequently Asked Questions

What is the IUPAC name of 5,11-dimethylpentadeca-3,12-diene-1,6,15-tricarboxylic acid?
The IUPAC name of 5,11-dimethylpentadeca-3,12-diene-1,6,15-tricarboxylic acid (CID 175055510) is 5,11-dimethylpentadeca-3,12-diene-1,6,15-tricarboxylic acid.
What is the SMILES notation for 5,11-dimethylpentadeca-3,12-diene-1,6,15-tricarboxylic acid?
The canonical SMILES for 5,11-dimethylpentadeca-3,12-diene-1,6,15-tricarboxylic acid is CC(C=CCCC(=O)O)CCCCC(C(=O)O)C(C)C=CCCC(=O)O.
What is the InChIKey of 5,11-dimethylpentadeca-3,12-diene-1,6,15-tricarboxylic acid?
The InChIKey is VDWKXLOBLDHFDP-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H32O6/c1-15(10-4-7-13-18(21)22)9-3-6-12-17(20(25)26)16(2)11-5-8-14-19(23)24/h4-5,10-11,15-17H,3,6-9,12-14H2,1-2H3,(H,21,22)(H,23,24)(H,25,26).
What are the key properties of 5,11-dimethylpentadeca-3,12-diene-1,6,15-tricarboxylic acid?
5,11-dimethylpentadeca-3,12-diene-1,6,15-tricarboxylic acid has a molecular weight of 368.47 g/mol, XLogP of 4.36, 15 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5,11-dimethylpentadeca-3,12-diene-1,6,15-tricarboxylic acid is sourced from PubChem (CID 175055510), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).