2-propylhexadeca-13,15-dienoic acid

C19H34O2 — CID 175937225

IUPAC2-propylhexadeca-13,15-dienoic acid
SMILESC=CC=CCCCCCCCCCCC(CCC)C(=O)O
InChIInChI=1S/C19H34O2/c1-3-5-6-7-8-9-10-11-12-13-14-15-17-18(16-4-2)19(20)21/h3,5-6,18H,1,4,7-17H2,2H3,(H,20,21)
InChIKeyJQJWXVKQQOHRSX-UHFFFAOYSA-N
MW294.48 g/mol
LogP6.13
Rot. Bonds15

About 2-propylhexadeca-13,15-dienoic acid

2-propylhexadeca-13,15-dienoic acid (PubChem CID 175937225) has the molecular formula C19H34O2 and a molecular weight of 294.48 g/mol. Its IUPAC name is 2-propylhexadeca-13,15-dienoic acid.

Molecular Properties

Compound Name2-propylhexadeca-13,15-dienoic acid
PubChem CID175937225
Molecular FormulaC19H34O2
Molecular Weight294.48 g/mol
Exact Mass294.26
IUPAC Name2-propylhexadeca-13,15-dienoic acid
SMILESC=CC=CCCCCCCCCCCC(CCC)C(=O)O
InChIInChI=1S/C19H34O2/c1-3-5-6-7-8-9-10-11-12-13-14-15-17-18(16-4-2)19(20)21/h3,5-6,18H,1,4,7-17H2,2H3,(H,20,21)
InChIKeyJQJWXVKQQOHRSX-UHFFFAOYSA-N
XLogP6.13
TPSA37.30 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds15
Heavy Atoms21
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500294.48
LogP ≤ 56.13
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

2-propylhexacosa-6,8,10,12,18-pentaenoic acid
CID 123541136
2-icos-11-enyltetracos-15-enoic acid
CID 54547643
(Z)-2-[(Z)-octadec-9-enyl]docos-13-enoic acid
CID 87920196
2-[(Z)-tetradec-7-enyl]icosanoic acid
CID 56844148
acetic acid;(13E)-hexadeca-13,15-dien-6-ol
CID 175333798
2-pentyldec-9-enoic acid
CID 175975601
2-propylheptadec-5-enoic acid
CID 91495561
2-propyloctadec-5-enoic acid
CID 141120150
(Z)-2-(2-chloroethyl)docos-13-enoic acid
CID 175201489
3-pentyltrideca-10,12-dienoic acid
CID 173172715
3-hexyldodeca-9,11-dienoic acid
CID 175194896
(9Z,12Z)-2-hexyloctadeca-9,12-dienoic acid
CID 122446351

Frequently Asked Questions

What is the IUPAC name of 2-propylhexadeca-13,15-dienoic acid?
The IUPAC name of 2-propylhexadeca-13,15-dienoic acid (CID 175937225) is 2-propylhexadeca-13,15-dienoic acid.
What is the SMILES notation for 2-propylhexadeca-13,15-dienoic acid?
The canonical SMILES for 2-propylhexadeca-13,15-dienoic acid is C=CC=CCCCCCCCCCCC(CCC)C(=O)O.
What is the InChIKey of 2-propylhexadeca-13,15-dienoic acid?
The InChIKey is JQJWXVKQQOHRSX-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H34O2/c1-3-5-6-7-8-9-10-11-12-13-14-15-17-18(16-4-2)19(20)21/h3,5-6,18H,1,4,7-17H2,2H3,(H,20,21).
What are the key properties of 2-propylhexadeca-13,15-dienoic acid?
2-propylhexadeca-13,15-dienoic acid has a molecular weight of 294.48 g/mol, XLogP of 6.13, 15 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-propylhexadeca-13,15-dienoic acid is sourced from PubChem (CID 175937225), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).