octadec-17-enoic acid

C18H34O2 — CID 5312444

IUPACoctadec-17-enoic acid
SMILESC=CCCCCCCCCCCCCCCCC(=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/h2H,1,3-17H2,(H,19,20)
InChIKeyCYSXFFUIJWHWRH-UHFFFAOYSA-N
MW282.47 g/mol
LogP6.11
Rot. Bonds16

About octadec-17-enoic acid

octadec-17-enoic acid (PubChem CID 5312444) has the molecular formula C18H34O2 and a molecular weight of 282.47 g/mol. Its IUPAC name is octadec-17-enoic acid.

Molecular Properties

Compound Nameoctadec-17-enoic acid
PubChem CID5312444
Molecular FormulaC18H34O2
Molecular Weight282.47 g/mol
Exact Mass282.26
IUPAC Nameoctadec-17-enoic acid
SMILESC=CCCCCCCCCCCCCCCCC(=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/h2H,1,3-17H2,(H,19,20)
InChIKeyCYSXFFUIJWHWRH-UHFFFAOYSA-N
XLogP6.11
TPSA37.30 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds16
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': 'isolated_alkene', 'substructure': 'N/A'}

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Related Compounds

tritriacont-32-enoic acid
CID 54063641
nonadec-18-enoic acid
CID 543857
hept-6-enoic acid;undec-10-enoic acid
CID 87675195
alumane;undec-10-enoic acid;hydrochloride
CID 175378056
hexane-1,6-diol;undec-10-enoic acid
CID 87494369
isocyanic acid;undec-10-enoic acid
CID 172822510
dec-1-ene;dec-9-enoic acid
CID 87497067
2,2,2-trifluoroacetic acid;undec-10-enoic acid
CID 166789468
isocyanic acid;methane;non-8-enoic acid
CID 174797729
buta-1,3-diene;decanedioic acid
CID 87614862
heptadeca-12,16-dienoic acid
CID 91393607
bis(propane-1,2,3-triol);undec-10-enoic acid
CID 175703798

Frequently Asked Questions

What is the IUPAC name of octadec-17-enoic acid?
The IUPAC name of octadec-17-enoic acid (CID 5312444) is octadec-17-enoic acid.
What is the SMILES notation for octadec-17-enoic acid?
The canonical SMILES for octadec-17-enoic acid is C=CCCCCCCCCCCCCCCCC(=O)O.
What is the InChIKey of octadec-17-enoic acid?
The InChIKey is CYSXFFUIJWHWRH-UHFFFAOYSA-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/h2H,1,3-17H2,(H,19,20).
What are the key properties of octadec-17-enoic acid?
octadec-17-enoic acid has a molecular weight of 282.47 g/mol, XLogP of 6.11, 16 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for octadec-17-enoic acid is sourced from PubChem (CID 5312444), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).