(8Z)-heptadeca-4,5,8-trienoic acid

C17H28O2 — CID 88698518

IUPAC(8Z)-heptadeca-4,5,8-trienoic acid
SMILESCCCCCCCC/C=C\CC=C=CCCC(=O)O
InChIInChI=1S/C17H28O2/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17(18)19/h9-10,12,14H,2-8,11,15-16H2,1H3,(H,18,19)/b10-9-
InChIKeyMNWPWWYCFBVCRX-KTKRTIGZSA-N
MW264.41 g/mol
LogP5.26
Rot. Bonds12

About (8Z)-heptadeca-4,5,8-trienoic acid

(8Z)-heptadeca-4,5,8-trienoic acid (PubChem CID 88698518) has the molecular formula C17H28O2 and a molecular weight of 264.41 g/mol. Its IUPAC name is (8Z)-heptadeca-4,5,8-trienoic acid.

Molecular Properties

Compound Name(8Z)-heptadeca-4,5,8-trienoic acid
PubChem CID88698518
Molecular FormulaC17H28O2
Molecular Weight264.41 g/mol
Exact Mass264.21
IUPAC Name(8Z)-heptadeca-4,5,8-trienoic acid
SMILESCCCCCCCC/C=C\CC=C=CCCC(=O)O
InChIInChI=1S/C17H28O2/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17(18)19/h9-10,12,14H,2-8,11,15-16H2,1H3,(H,18,19)/b10-9-
InChIKeyMNWPWWYCFBVCRX-KTKRTIGZSA-N
XLogP5.26
TPSA37.30 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds12
Heavy Atoms19
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500264.41
LogP ≤ 55.26
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

(4E,7Z)-hexadeca-4,7-dienoic acid
CID 138137773
(4Z,7Z,10Z,13Z,16Z,19Z,22Z)-octacosa-4,7,10,13,16,19,22-heptaenoic acid
CID 14647893
(4E,7E,10E,13E,16E)-docosa-4,7,10,13,16-pentaenoic acid
CID 5282848
(4E,7E,10E,13E,16Z)-docosa-4,7,10,13,16-pentaenoic acid
CID 122652087
(4E,7Z,10Z,13Z,16E)-docosa-4,7,10,13,16-pentaenoic acid
CID 122651983
heptadec-4-enoic acid
CID 56621766
heptatriaconta-15,18,19-triene
CID 57100861
(Z)-tetradec-4-enoic acid
CID 5312399
docos-4-enoic acid
CID 56621449
nonadec-4-enoic acid
CID 56637756
(8Z,11Z,14Z,17Z,20Z)-hexacosa-8,11,14,17,20-pentaenoic acid
CID 52921820
(4E,9Z,12E)-octadeca-4,9,12-trienoic acid
CID 125183201

Frequently Asked Questions

What is the IUPAC name of (8Z)-heptadeca-4,5,8-trienoic acid?
The IUPAC name of (8Z)-heptadeca-4,5,8-trienoic acid (CID 88698518) is (8Z)-heptadeca-4,5,8-trienoic acid.
What is the SMILES notation for (8Z)-heptadeca-4,5,8-trienoic acid?
The canonical SMILES for (8Z)-heptadeca-4,5,8-trienoic acid is CCCCCCCC/C=C\CC=C=CCCC(=O)O.
What is the InChIKey of (8Z)-heptadeca-4,5,8-trienoic acid?
The InChIKey is MNWPWWYCFBVCRX-KTKRTIGZSA-N. The full InChI is InChI=1S/C17H28O2/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17(18)19/h9-10,12,14H,2-8,11,15-16H2,1H3,(H,18,19)/b10-9-.
What are the key properties of (8Z)-heptadeca-4,5,8-trienoic acid?
(8Z)-heptadeca-4,5,8-trienoic acid has a molecular weight of 264.41 g/mol, XLogP of 5.26, 12 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (8Z)-heptadeca-4,5,8-trienoic acid is sourced from PubChem (CID 88698518), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).