(6E,8E,10E)-pentadeca-6,8,10-trienoic acid

C15H24O2 — CID 101132736

IUPAC(6E,8E,10E)-pentadeca-6,8,10-trienoic acid
SMILESCCCC/C=C/C=C/C=C/CCCCC(=O)O
InChIInChI=1S/C15H24O2/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15(16)17/h5-10H,2-4,11-14H2,1H3,(H,16,17)/b6-5+,8-7+,10-9+
InChIKeyPPVPAXYCDJNNQR-SUTYWZMXSA-N
MW236.36 g/mol
LogP4.49
Rot. Bonds10

About (6E,8E,10E)-pentadeca-6,8,10-trienoic acid

(6E,8E,10E)-pentadeca-6,8,10-trienoic acid (PubChem CID 101132736) has the molecular formula C15H24O2 and a molecular weight of 236.36 g/mol. Its IUPAC name is (6E,8E,10E)-pentadeca-6,8,10-trienoic acid.

Molecular Properties

Compound Name(6E,8E,10E)-pentadeca-6,8,10-trienoic acid
PubChem CID101132736
Molecular FormulaC15H24O2
Molecular Weight236.36 g/mol
Exact Mass236.18
IUPAC Name(6E,8E,10E)-pentadeca-6,8,10-trienoic acid
SMILESCCCC/C=C/C=C/C=C/CCCCC(=O)O
InChIInChI=1S/C15H24O2/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15(16)17/h5-10H,2-4,11-14H2,1H3,(H,16,17)/b6-5+,8-7+,10-9+
InChIKeyPPVPAXYCDJNNQR-SUTYWZMXSA-N
XLogP4.49
TPSA37.30 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds10
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500236.36
LogP ≤ 54.49
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

(7Z,9E)-octadeca-7,9-dienoic acid
CID 10214758
(10E,12E)-octadeca-10,12-dienoic acid
CID 5282801
(9E,11Z)-henicosa-9,11-dienoic acid
CID 102012523
heptacosa-12,14-dienoic acid
CID 172824582
octadeca-6,9,12-trienoic acid;(6Z,9Z,12Z)-octadeca-6,9,12-trienoic acid;bis(octadeca-9,11,13-trienoic acid)
CID 161443893
icosa-8,10,14-trienoic acid
CID 162425913
2-methylprop-2-enoic acid;octadeca-9,11,13-trienoic acid
CID 174415565
(5E,7Z)-hexadeca-5,7-dienoic acid
CID 87408185
(5E,7E)-docosa-5,7-dienoic acid
CID 118460642
(10E,12Z)-hexadeca-10,12-dienoic acid
CID 87408133
pentadeca-5,7-dienoic acid
CID 123590047
(E)-tricos-18-enoic acid
CID 20847589

Frequently Asked Questions

What is the IUPAC name of (6E,8E,10E)-pentadeca-6,8,10-trienoic acid?
The IUPAC name of (6E,8E,10E)-pentadeca-6,8,10-trienoic acid (CID 101132736) is (6E,8E,10E)-pentadeca-6,8,10-trienoic acid.
What is the SMILES notation for (6E,8E,10E)-pentadeca-6,8,10-trienoic acid?
The canonical SMILES for (6E,8E,10E)-pentadeca-6,8,10-trienoic acid is CCCC/C=C/C=C/C=C/CCCCC(=O)O.
What is the InChIKey of (6E,8E,10E)-pentadeca-6,8,10-trienoic acid?
The InChIKey is PPVPAXYCDJNNQR-SUTYWZMXSA-N. The full InChI is InChI=1S/C15H24O2/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15(16)17/h5-10H,2-4,11-14H2,1H3,(H,16,17)/b6-5+,8-7+,10-9+.
What are the key properties of (6E,8E,10E)-pentadeca-6,8,10-trienoic acid?
(6E,8E,10E)-pentadeca-6,8,10-trienoic acid has a molecular weight of 236.36 g/mol, XLogP of 4.49, 10 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (6E,8E,10E)-pentadeca-6,8,10-trienoic acid is sourced from PubChem (CID 101132736), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).