non-2-en-5-ol;(Z)-octadec-9-enoic acid

C27H52O3 — CID 158473796

IUPACnon-2-en-5-ol;(Z)-octadec-9-enoic acid
SMILESCC=CCC(O)CCCC.CCCCCCCC/C=C\CCCCCCCC(=O)O
InChIInChI=1S/C18H34O2.C9H18O/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18(19)20;1-3-5-7-9(10)8-6-4-2/h9-10H,2-8,11-17H2,1H3,(H,19,20);3,5,9-10H,4,6-8H2,1-2H3/b10-9-;
InChIKeyHGRIEMJMHFEORV-KVVVOXFISA-N
MW424.71 g/mol
LogP8.61
Rot. Bonds20

About non-2-en-5-ol;(Z)-octadec-9-enoic acid

non-2-en-5-ol;(Z)-octadec-9-enoic acid (PubChem CID 158473796) has the molecular formula C27H52O3 and a molecular weight of 424.71 g/mol. Its IUPAC name is non-2-en-5-ol;(Z)-octadec-9-enoic acid.

Molecular Properties

Compound Namenon-2-en-5-ol;(Z)-octadec-9-enoic acid
PubChem CID158473796
Molecular FormulaC27H52O3
Molecular Weight424.71 g/mol
Exact Mass424.39
IUPAC Namenon-2-en-5-ol;(Z)-octadec-9-enoic acid
SMILESCC=CCC(O)CCCC.CCCCCCCC/C=C\CCCCCCCC(=O)O
InChIInChI=1S/C18H34O2.C9H18O/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18(19)20;1-3-5-7-9(10)8-6-4-2/h9-10H,2-8,11-17H2,1H3,(H,19,20);3,5,9-10H,4,6-8H2,1-2H3/b10-9-;
InChIKeyHGRIEMJMHFEORV-KVVVOXFISA-N
XLogP8.61
TPSA57.53 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds20
Heavy Atoms30
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500424.71
LogP ≤ 58.61
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

Analyze non-2-en-5-ol;(Z)-octadec-9-enoic acid with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

(Z)-12-hydroxyoctadec-9-enoic acid
CID 5282942
12-hydroxyicos-14-enoic acid
CID 169277255
12-hydroxyhenicos-14-enoic acid
CID 169277303
(Z)-7-hydroxyoctadec-9-enoic acid
CID 101326222
(Z,12R)-12-hydroxyoctadec-9-enoic acid;silver
CID 174840171
CID 131874957
CID 131874957
CID 175884069
CID 175884069
2-hydroxyacetic acid;bis((Z)-12-hydroxyoctadec-9-enoic acid);titanium
CID 6437456
10-hydroxytricosa-12,15-dienoic acid
CID 169277481
16-hydroxytriaconta-18,21-dienoic acid
CID 169276960
17-hydroxytriaconta-19,22-dienoic acid
CID 169277268
15-hydroxynonacosa-17,20-dienoic acid
CID 169277174

Frequently Asked Questions

What is the IUPAC name of non-2-en-5-ol;(Z)-octadec-9-enoic acid?
The IUPAC name of non-2-en-5-ol;(Z)-octadec-9-enoic acid (CID 158473796) is non-2-en-5-ol;(Z)-octadec-9-enoic acid.
What is the SMILES notation for non-2-en-5-ol;(Z)-octadec-9-enoic acid?
The canonical SMILES for non-2-en-5-ol;(Z)-octadec-9-enoic acid is CC=CCC(O)CCCC.CCCCCCCC/C=C\CCCCCCCC(=O)O.
What is the InChIKey of non-2-en-5-ol;(Z)-octadec-9-enoic acid?
The InChIKey is HGRIEMJMHFEORV-KVVVOXFISA-N. The full InChI is InChI=1S/C18H34O2.C9H18O/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18(19)20;1-3-5-7-9(10)8-6-4-2/h9-10H,2-8,11-17H2,1H3,(H,19,20);3,5,9-10H,4,6-8H2,1-2H3/b10-9-;.
What are the key properties of non-2-en-5-ol;(Z)-octadec-9-enoic acid?
non-2-en-5-ol;(Z)-octadec-9-enoic acid has a molecular weight of 424.71 g/mol, XLogP of 8.61, 20 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for non-2-en-5-ol;(Z)-octadec-9-enoic acid is sourced from PubChem (CID 158473796), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).