(5E,9E)-15-methylhexadeca-5,9-dienoic acid

C17H30O2 — CID 20847618

IUPAC(5E,9E)-15-methylhexadeca-5,9-dienoic acid
SMILESCC(C)CCCC/C=C/CC/C=C/CCCC(=O)O
InChIInChI=1S/C17H30O2/c1-16(2)14-12-10-8-6-4-3-5-7-9-11-13-15-17(18)19/h4,6-7,9,16H,3,5,8,10-15H2,1-2H3,(H,18,19)/b6-4+,9-7+
InChIKeyBTKDNNVRSPSPKK-ADIUVMHLSA-N
MW266.42 g/mol
LogP5.35
Rot. Bonds12

About (5E,9E)-15-methylhexadeca-5,9-dienoic acid

(5E,9E)-15-methylhexadeca-5,9-dienoic acid (PubChem CID 20847618) has the molecular formula C17H30O2 and a molecular weight of 266.42 g/mol. Its IUPAC name is (5E,9E)-15-methylhexadeca-5,9-dienoic acid.

Molecular Properties

Compound Name(5E,9E)-15-methylhexadeca-5,9-dienoic acid
PubChem CID20847618
Molecular FormulaC17H30O2
Molecular Weight266.42 g/mol
Exact Mass266.22
IUPAC Name(5E,9E)-15-methylhexadeca-5,9-dienoic acid
SMILESCC(C)CCCC/C=C/CC/C=C/CCCC(=O)O
InChIInChI=1S/C17H30O2/c1-16(2)14-12-10-8-6-4-3-5-7-9-11-13-15-17(18)19/h4,6-7,9,16H,3,5,8,10-15H2,1-2H3,(H,18,19)/b6-4+,9-7+
InChIKeyBTKDNNVRSPSPKK-ADIUVMHLSA-N
XLogP5.35
TPSA37.30 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds12
Heavy Atoms19
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500266.42
LogP ≤ 55.35
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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

17-methyloctadeca-5,9-dienoic acid
CID 75955144
(5Z,8Z)-14-methylpentadeca-5,8-dienoic acid
CID 168749471
(Z)-16-methylheptadec-8-enoic acid
CID 10731639
24-methylpentacos-9-enoic acid
CID 57190789
11,15,19-trimethylicos-5-enoic acid
CID 75962648
(Z)-13,17,21,25-tetramethylhexacos-5-enoic acid
CID 52929822
(5E,9Z)-6-bromo-24-methylpentacosa-5,9-dienoic acid
CID 56935823
(16S)-16-methyloctadeca-5,9-dienoic acid
CID 162859481
(9Z,12Z)-16-methylheptadeca-9,12-dienoic acid
CID 5312304
18-methylnonadeca-8,11,14-trienoic acid
CID 78383919
8-methylnon-5-enoic acid
CID 73188771
6-methylheptanoic acid;vanadium
CID 174623955

Frequently Asked Questions

What is the IUPAC name of (5E,9E)-15-methylhexadeca-5,9-dienoic acid?
The IUPAC name of (5E,9E)-15-methylhexadeca-5,9-dienoic acid (CID 20847618) is (5E,9E)-15-methylhexadeca-5,9-dienoic acid.
What is the SMILES notation for (5E,9E)-15-methylhexadeca-5,9-dienoic acid?
The canonical SMILES for (5E,9E)-15-methylhexadeca-5,9-dienoic acid is CC(C)CCCC/C=C/CC/C=C/CCCC(=O)O.
What is the InChIKey of (5E,9E)-15-methylhexadeca-5,9-dienoic acid?
The InChIKey is BTKDNNVRSPSPKK-ADIUVMHLSA-N. The full InChI is InChI=1S/C17H30O2/c1-16(2)14-12-10-8-6-4-3-5-7-9-11-13-15-17(18)19/h4,6-7,9,16H,3,5,8,10-15H2,1-2H3,(H,18,19)/b6-4+,9-7+.
What are the key properties of (5E,9E)-15-methylhexadeca-5,9-dienoic acid?
(5E,9E)-15-methylhexadeca-5,9-dienoic acid has a molecular weight of 266.42 g/mol, XLogP of 5.35, 12 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (5E,9E)-15-methylhexadeca-5,9-dienoic acid is sourced from PubChem (CID 20847618), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).