heptadec-4-enoic acid

C17H32O2 — CID 56621766

IUPACheptadec-4-enoic acid
SMILESCCCCCCCCCCCCC=CCCC(=O)O
InChIInChI=1S/C17H32O2/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17(18)19/h13-14H,2-12,15-16H2,1H3,(H,18,19)
InChIKeyRYPXZWWLFKJBNN-UHFFFAOYSA-N
MW268.44 g/mol
LogP5.72
Rot. Bonds14

About heptadec-4-enoic acid

heptadec-4-enoic acid (PubChem CID 56621766) has the molecular formula C17H32O2 and a molecular weight of 268.44 g/mol. Its IUPAC name is heptadec-4-enoic acid.

Molecular Properties

Compound Nameheptadec-4-enoic acid
PubChem CID56621766
Molecular FormulaC17H32O2
Molecular Weight268.44 g/mol
Exact Mass268.24
IUPAC Nameheptadec-4-enoic acid
SMILESCCCCCCCCCCCCC=CCCC(=O)O
InChIInChI=1S/C17H32O2/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17(18)19/h13-14H,2-12,15-16H2,1H3,(H,18,19)
InChIKeyRYPXZWWLFKJBNN-UHFFFAOYSA-N
XLogP5.72
TPSA37.30 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds14
Heavy Atoms19
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500268.44
LogP ≤ 55.72
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

(Z)-tetradec-4-enoic acid
CID 5312399
docos-4-enoic acid
CID 56621449
nonadec-4-enoic acid
CID 56637756
bis(undec-4-enoic acid);zinc
CID 172555666
icosa-4,10,14-trienoic acid
CID 162425838
(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,7Z,10Z,13Z,16E)-docosa-4,7,10,13,16-pentaenoic acid
CID 122651983
(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
hexadec-9-enoic acid;(Z)-hexadec-9-enoic acid
CID 87100136
(Z)-hexadec-9-enoic acid;octadecanoic acid;(Z)-octadec-9-enoic acid
CID 157299242

Frequently Asked Questions

What is the IUPAC name of heptadec-4-enoic acid?
The IUPAC name of heptadec-4-enoic acid (CID 56621766) is heptadec-4-enoic acid.
What is the SMILES notation for heptadec-4-enoic acid?
The canonical SMILES for heptadec-4-enoic acid is CCCCCCCCCCCCC=CCCC(=O)O.
What is the InChIKey of heptadec-4-enoic acid?
The InChIKey is RYPXZWWLFKJBNN-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H32O2/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17(18)19/h13-14H,2-12,15-16H2,1H3,(H,18,19).
What are the key properties of heptadec-4-enoic acid?
heptadec-4-enoic acid has a molecular weight of 268.44 g/mol, XLogP of 5.72, 14 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for heptadec-4-enoic acid is sourced from PubChem (CID 56621766), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).