furan;(Z)-octadec-9-enoic acid

C22H38O3 — CID 175042790

IUPACfuran;(Z)-octadec-9-enoic acid
SMILESCCCCCCCC/C=C\CCCCCCCC(=O)O.c1ccoc1
InChIInChI=1S/C18H34O2.C4H4O/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18(19)20;1-2-4-5-3-1/h9-10H,2-8,11-17H2,1H3,(H,19,20);1-4H/b10-9-;
InChIKeyKOOKKOZRADHJMX-KVVVOXFISA-N
MW350.54 g/mol
LogP7.39
Rot. Bonds15

About furan;(Z)-octadec-9-enoic acid

furan;(Z)-octadec-9-enoic acid (PubChem CID 175042790) has the molecular formula C22H38O3 and a molecular weight of 350.54 g/mol. Its IUPAC name is furan;(Z)-octadec-9-enoic acid.

Molecular Properties

Compound Namefuran;(Z)-octadec-9-enoic acid
PubChem CID175042790
Molecular FormulaC22H38O3
Molecular Weight350.54 g/mol
Exact Mass350.28
IUPAC Namefuran;(Z)-octadec-9-enoic acid
SMILESCCCCCCCC/C=C\CCCCCCCC(=O)O.c1ccoc1
InChIInChI=1S/C18H34O2.C4H4O/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18(19)20;1-2-4-5-3-1/h9-10H,2-8,11-17H2,1H3,(H,19,20);1-4H/b10-9-;
InChIKeyKOOKKOZRADHJMX-KVVVOXFISA-N
XLogP7.39
TPSA50.44 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds15
Heavy Atoms25
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500350.54
LogP ≤ 57.39
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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

furan;octadecanoic acid
CID 160757356
(E)-hexadec-8-enoic acid
CID 6430788
triacont-6-enoic acid
CID 169276816
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
octadecane;octadec-9-enoic acid
CID 158603673
decanoic acid;octadec-9-enoic acid
CID 173212255
(Z)-pentadec-6-enoic acid
CID 13128939
(Z)-(1613C)hexadec-9-enoic acid
CID 171379046
(E)-nonadec-7-enoic acid
CID 5312514
(7Z,15Z)-docosa-7,15-dienoic acid
CID 52921832
(23E,29E)-heptatriaconta-23,29-dienoic acid
CID 87652352

Frequently Asked Questions

What is the IUPAC name of furan;(Z)-octadec-9-enoic acid?
The IUPAC name of furan;(Z)-octadec-9-enoic acid (CID 175042790) is furan;(Z)-octadec-9-enoic acid.
What is the SMILES notation for furan;(Z)-octadec-9-enoic acid?
The canonical SMILES for furan;(Z)-octadec-9-enoic acid is CCCCCCCC/C=C\CCCCCCCC(=O)O.c1ccoc1.
What is the InChIKey of furan;(Z)-octadec-9-enoic acid?
The InChIKey is KOOKKOZRADHJMX-KVVVOXFISA-N. The full InChI is InChI=1S/C18H34O2.C4H4O/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18(19)20;1-2-4-5-3-1/h9-10H,2-8,11-17H2,1H3,(H,19,20);1-4H/b10-9-;.
What are the key properties of furan;(Z)-octadec-9-enoic acid?
furan;(Z)-octadec-9-enoic acid has a molecular weight of 350.54 g/mol, XLogP of 7.39, 15 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for furan;(Z)-octadec-9-enoic acid is sourced from PubChem (CID 175042790), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).