(E)-octadec-2-enoic acid

C18H34O2 — CID 5282750

IUPAC(E)-octadec-2-enoic acid
SMILESCCCCCCCCCCCCCCC/C=C/C(=O)O
InChIInChI=1S/C18H34O2/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18(19)20/h16-17H,2-15H2,1H3,(H,19,20)/b17-16+
InChIKeyLKOVPWSSZFDYPG-WUKNDPDISA-N
MW282.47 g/mol
LogP6.11
Rot. Bonds15

About (E)-octadec-2-enoic acid

(E)-octadec-2-enoic acid (PubChem CID 5282750) has the molecular formula C18H34O2 and a molecular weight of 282.47 g/mol. Its IUPAC name is (E)-octadec-2-enoic acid.

Molecular Properties

Compound Name(E)-octadec-2-enoic acid
PubChem CID5282750
Molecular FormulaC18H34O2
Molecular Weight282.47 g/mol
Exact Mass282.26
IUPAC Name(E)-octadec-2-enoic acid
SMILESCCCCCCCCCCCCCCC/C=C/C(=O)O
InChIInChI=1S/C18H34O2/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18(19)20/h16-17H,2-15H2,1H3,(H,19,20)/b17-16+
InChIKeyLKOVPWSSZFDYPG-WUKNDPDISA-N
XLogP6.11
TPSA37.30 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds15
Heavy Atoms20
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500282.47
LogP ≤ 56.11
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}

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Related Compounds

trans-2-Octenoic acid
CID 5282714
Hexadecenoic Acid
CID 5282743
trans-2-Decenoic acid
CID 5282724
Dodec-2-enoic acid
CID 5282729
2-Decenoic acid
CID 94282
2-Nonenoic acid
CID 97730
cis-2-Dodecenoic acid
CID 5312376
Trans-2-tetradecenoic acid
CID 5282738
2-Octenoic acid
CID 5282713
Nonenoic acid
CID 5312586
cis-2-Decenoic acid
CID 5356596
2-Tridecenoic Acid
CID 5282735

Frequently Asked Questions

What is the IUPAC name of (E)-octadec-2-enoic acid?
The IUPAC name of (E)-octadec-2-enoic acid (CID 5282750) is (E)-octadec-2-enoic acid.
What is the SMILES notation for (E)-octadec-2-enoic acid?
The canonical SMILES for (E)-octadec-2-enoic acid is CCCCCCCCCCCCCCC/C=C/C(=O)O.
What is the InChIKey of (E)-octadec-2-enoic acid?
The InChIKey is LKOVPWSSZFDYPG-WUKNDPDISA-N. The full InChI is InChI=1S/C18H34O2/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18(19)20/h16-17H,2-15H2,1H3,(H,19,20)/b17-16+.
What are the key properties of (E)-octadec-2-enoic acid?
(E)-octadec-2-enoic acid has a molecular weight of 282.47 g/mol, XLogP of 6.11, 15 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (E)-octadec-2-enoic acid is sourced from PubChem (CID 5282750), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).