7,10,14-trihydroxyoctadec-2-enoic acid

C18H34O5 — CID 146242425

IUPAC7,10,14-trihydroxyoctadec-2-enoic acid
SMILESCCCCC(O)CCCC(O)CCC(O)CCCC=CC(=O)O
InChIInChI=1S/C18H34O5/c1-2-3-8-15(19)10-7-11-17(21)14-13-16(20)9-5-4-6-12-18(22)23/h6,12,15-17,19-21H,2-5,7-11,13-14H2,1H3,(H,22,23)
InChIKeyISSVFEIXAVYNCL-UHFFFAOYSA-N
MW330.47 g/mol
LogP3.02
Rot. Bonds15

About 7,10,14-trihydroxyoctadec-2-enoic acid

7,10,14-trihydroxyoctadec-2-enoic acid (PubChem CID 146242425) has the molecular formula C18H34O5 and a molecular weight of 330.47 g/mol. Its IUPAC name is 7,10,14-trihydroxyoctadec-2-enoic acid.

Molecular Properties

Compound Name7,10,14-trihydroxyoctadec-2-enoic acid
PubChem CID146242425
Molecular FormulaC18H34O5
Molecular Weight330.47 g/mol
Exact Mass330.24
IUPAC Name7,10,14-trihydroxyoctadec-2-enoic acid
SMILESCCCCC(O)CCCC(O)CCC(O)CCCC=CC(=O)O
InChIInChI=1S/C18H34O5/c1-2-3-8-15(19)10-7-11-17(21)14-13-16(20)9-5-4-6-12-18(22)23/h6,12,15-17,19-21H,2-5,7-11,13-14H2,1H3,(H,22,23)
InChIKeyISSVFEIXAVYNCL-UHFFFAOYSA-N
XLogP3.02
TPSA97.99 Ų
H-Bond Donors4
H-Bond Acceptors4
Rotatable Bonds15
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500330.47
LogP ≤ 53.02
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

Analyze 7,10,14-trihydroxyoctadec-2-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

7,10,13-trihydroxyoctadec-2-enoic acid
CID 146242236
11-hydroxypentadec-2-enoic acid
CID 162983544
14-hydroxyicos-2-enoic acid
CID 54225996
(E)-9,12,13-trihydroxyoctadec-2-enoic acid
CID 87252445
(17S)-17-hydroxydocosa-2,4,6,8,10,12-hexaenoic acid
CID 54157203
5,8-dihydroxyoctadec-2-enoic acid
CID 162533273
(Z)-oct-2-enoic acid
CID 5282713
CID 158204021
CID 158204021
acetic acid;nonan-5-ol
CID 53445479
12,13-dihydroxyoctadec-2-enoic acid
CID 71343147
(2E,6E,10E,14E,18E)-tricosa-2,6,10,14,18-pentaenoic acid
CID 21286858
(E)-oct-2-enoic acid;zirconium
CID 89456417

Frequently Asked Questions

What is the IUPAC name of 7,10,14-trihydroxyoctadec-2-enoic acid?
The IUPAC name of 7,10,14-trihydroxyoctadec-2-enoic acid (CID 146242425) is 7,10,14-trihydroxyoctadec-2-enoic acid.
What is the SMILES notation for 7,10,14-trihydroxyoctadec-2-enoic acid?
The canonical SMILES for 7,10,14-trihydroxyoctadec-2-enoic acid is CCCCC(O)CCCC(O)CCC(O)CCCC=CC(=O)O.
What is the InChIKey of 7,10,14-trihydroxyoctadec-2-enoic acid?
The InChIKey is ISSVFEIXAVYNCL-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H34O5/c1-2-3-8-15(19)10-7-11-17(21)14-13-16(20)9-5-4-6-12-18(22)23/h6,12,15-17,19-21H,2-5,7-11,13-14H2,1H3,(H,22,23).
What are the key properties of 7,10,14-trihydroxyoctadec-2-enoic acid?
7,10,14-trihydroxyoctadec-2-enoic acid has a molecular weight of 330.47 g/mol, XLogP of 3.02, 15 rotatable bonds, 4 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 7,10,14-trihydroxyoctadec-2-enoic acid is sourced from PubChem (CID 146242425), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).