9-pentyltetradeca-6,8-dienoic acid

C19H34O2 — CID 123536304

IUPAC9-pentyltetradeca-6,8-dienoic acid
SMILESCCCCCC(=CC=CCCCCC(=O)O)CCCCC
InChIInChI=1S/C19H34O2/c1-3-5-10-14-18(15-11-6-4-2)16-12-8-7-9-13-17-19(20)21/h8,12,16H,3-7,9-11,13-15,17H2,1-2H3,(H,20,21)
InChIKeyOCXZRMUIIRVWKD-UHFFFAOYSA-N
MW294.48 g/mol
LogP6.27
Rot. Bonds14

About 9-pentyltetradeca-6,8-dienoic acid

9-pentyltetradeca-6,8-dienoic acid (PubChem CID 123536304) has the molecular formula C19H34O2 and a molecular weight of 294.48 g/mol. Its IUPAC name is 9-pentyltetradeca-6,8-dienoic acid.

Molecular Properties

Compound Name9-pentyltetradeca-6,8-dienoic acid
PubChem CID123536304
Molecular FormulaC19H34O2
Molecular Weight294.48 g/mol
Exact Mass294.26
IUPAC Name9-pentyltetradeca-6,8-dienoic acid
SMILESCCCCCC(=CC=CCCCCC(=O)O)CCCCC
InChIInChI=1S/C19H34O2/c1-3-5-10-14-18(15-11-6-4-2)16-12-8-7-9-13-17-19(20)21/h8,12,16H,3-7,9-11,13-15,17H2,1-2H3,(H,20,21)
InChIKeyOCXZRMUIIRVWKD-UHFFFAOYSA-N
XLogP6.27
TPSA37.30 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds14
Heavy Atoms21
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500294.48
LogP ≤ 56.27
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
copper;(Z)-docos-13-enoic acid
CID 174615859
(6E,12Z)-octadeca-6,12-dienoic acid
CID 101251526
icosa-8,10,14-trienoic acid
CID 162425913
(5E,7Z)-hexadeca-5,7-dienoic acid
CID 87408185
(5E,7E)-docosa-5,7-dienoic acid
CID 118460642
(6E,8E,10E)-pentadeca-6,8,10-trienoic acid
CID 101132736
copper;iron;(Z)-octadec-9-enoic acid
CID 174924347
pentadeca-5,7-dienoic acid
CID 123590047

Frequently Asked Questions

What is the IUPAC name of 9-pentyltetradeca-6,8-dienoic acid?
The IUPAC name of 9-pentyltetradeca-6,8-dienoic acid (CID 123536304) is 9-pentyltetradeca-6,8-dienoic acid.
What is the SMILES notation for 9-pentyltetradeca-6,8-dienoic acid?
The canonical SMILES for 9-pentyltetradeca-6,8-dienoic acid is CCCCCC(=CC=CCCCCC(=O)O)CCCCC.
What is the InChIKey of 9-pentyltetradeca-6,8-dienoic acid?
The InChIKey is OCXZRMUIIRVWKD-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H34O2/c1-3-5-10-14-18(15-11-6-4-2)16-12-8-7-9-13-17-19(20)21/h8,12,16H,3-7,9-11,13-15,17H2,1-2H3,(H,20,21).
What are the key properties of 9-pentyltetradeca-6,8-dienoic acid?
9-pentyltetradeca-6,8-dienoic acid has a molecular weight of 294.48 g/mol, XLogP of 6.27, 14 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 9-pentyltetradeca-6,8-dienoic acid is sourced from PubChem (CID 123536304), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).