(6E,9Z)-pentadeca-6,9-dienoic acid

C15H26O2 — CID 87445670

IUPAC(6E,9Z)-pentadeca-6,9-dienoic acid
SMILESCCCCC/C=C\C/C=C/CCCCC(=O)O
InChIInChI=1S/C15H26O2/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15(16)17/h6-7,9-10H,2-5,8,11-14H2,1H3,(H,16,17)/b7-6-,10-9+
InChIKeyVETKOWLNPCFKTM-IXWMQOLASA-N
MW238.37 g/mol
LogP4.71
Rot. Bonds11

About (6E,9Z)-pentadeca-6,9-dienoic acid

(6E,9Z)-pentadeca-6,9-dienoic acid (PubChem CID 87445670) has the molecular formula C15H26O2 and a molecular weight of 238.37 g/mol. Its IUPAC name is (6E,9Z)-pentadeca-6,9-dienoic acid.

Molecular Properties

Compound Name(6E,9Z)-pentadeca-6,9-dienoic acid
PubChem CID87445670
Molecular FormulaC15H26O2
Molecular Weight238.37 g/mol
Exact Mass238.19
IUPAC Name(6E,9Z)-pentadeca-6,9-dienoic acid
SMILESCCCCC/C=C\C/C=C/CCCCC(=O)O
InChIInChI=1S/C15H26O2/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15(16)17/h6-7,9-10H,2-5,8,11-14H2,1H3,(H,16,17)/b7-6-,10-9+
InChIKeyVETKOWLNPCFKTM-IXWMQOLASA-N
XLogP4.71
TPSA37.30 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds11
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500238.37
LogP ≤ 54.71
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

(6Z)-octadeca-6,9,12-trienoic acid
CID 87131642
tetracosa-6,9,12,15,18-pentaenoic acid
CID 72731988
(23Z,26Z)-tetratriaconta-23,26-dienoic acid
CID 165284032
heptacosa-14,17-dienoic acid
CID 169276989
tetracosa-9,12,15,18-tetraenoic acid
CID 75955148
(9E,12E)-(113C)octadeca-9,12-dienoic acid
CID 171042521
octacosa-10,13,16-trienoic acid
CID 169277248
(6Z,9Z,12Z)-octadeca-6,9,12-trienoic acid;hydrate
CID 141267373
(9Z,12Z,15Z)-henicosa-9,12,15-trienoic acid
CID 14647994
(10E,13E)-nonadeca-10,13-dienoic acid
CID 5312516
triaconta-18,21-dienoic acid
CID 169276961
octacosa-15,18-dienoic acid
CID 169277492

Frequently Asked Questions

What is the IUPAC name of (6E,9Z)-pentadeca-6,9-dienoic acid?
The IUPAC name of (6E,9Z)-pentadeca-6,9-dienoic acid (CID 87445670) is (6E,9Z)-pentadeca-6,9-dienoic acid.
What is the SMILES notation for (6E,9Z)-pentadeca-6,9-dienoic acid?
The canonical SMILES for (6E,9Z)-pentadeca-6,9-dienoic acid is CCCCC/C=C\C/C=C/CCCCC(=O)O.
What is the InChIKey of (6E,9Z)-pentadeca-6,9-dienoic acid?
The InChIKey is VETKOWLNPCFKTM-IXWMQOLASA-N. The full InChI is InChI=1S/C15H26O2/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15(16)17/h6-7,9-10H,2-5,8,11-14H2,1H3,(H,16,17)/b7-6-,10-9+.
What are the key properties of (6E,9Z)-pentadeca-6,9-dienoic acid?
(6E,9Z)-pentadeca-6,9-dienoic acid has a molecular weight of 238.37 g/mol, XLogP of 4.71, 11 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (6E,9Z)-pentadeca-6,9-dienoic acid is sourced from PubChem (CID 87445670), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).