(9E)-nonadeca-9,18-diene-6,7-diol

C19H36O2 — CID 20847648

IUPAC(9E)-nonadeca-9,18-diene-6,7-diol
SMILESC=CCCCCCCC/C=C/CC(O)C(O)CCCCC
InChIInChI=1S/C19H36O2/c1-3-5-7-8-9-10-11-12-13-15-17-19(21)18(20)16-14-6-4-2/h3,13,15,18-21H,1,4-12,14,16-17H2,2H3/b15-13+
InChIKeyDJFPWUBTBKGAGA-FYWRMAATSA-N
MW296.50 g/mol
LogP5.15
Rot. Bonds15

About (9E)-nonadeca-9,18-diene-6,7-diol

(9E)-nonadeca-9,18-diene-6,7-diol (PubChem CID 20847648) has the molecular formula C19H36O2 and a molecular weight of 296.50 g/mol. Its IUPAC name is (9E)-nonadeca-9,18-diene-6,7-diol.

Molecular Properties

Compound Name(9E)-nonadeca-9,18-diene-6,7-diol
PubChem CID20847648
Molecular FormulaC19H36O2
Molecular Weight296.50 g/mol
Exact Mass296.27
IUPAC Name(9E)-nonadeca-9,18-diene-6,7-diol
SMILESC=CCCCCCCC/C=C/CC(O)C(O)CCCCC
InChIInChI=1S/C19H36O2/c1-3-5-7-8-9-10-11-12-13-15-17-19(21)18(20)16-14-6-4-2/h3,13,15,18-21H,1,4-12,14,16-17H2,2H3/b15-13+
InChIKeyDJFPWUBTBKGAGA-FYWRMAATSA-N
XLogP5.15
TPSA40.46 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds15
Heavy Atoms21
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500296.50
LogP ≤ 55.15
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 (9E)-nonadeca-9,18-diene-6,7-diol 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

(E)-heptadec-9-ene-6,7-diol
CID 173310595
(Z)-hexadec-4-ene-7,8-diol
CID 118508493
(Z)-octacos-19-ene-10,11-diol
CID 87651448
(Z)-12,13-dihydroxyoctadec-9-enoic acid
CID 10236635
13,14-dimethylnonadeca-1,10-diene
CID 123270999
(7E)-heptadeca-1,7-diene
CID 19050683
pentacosa-1,9,15-triene
CID 90876289
tetradeca-1,8-diene
CID 90913546
pentacosa-1,16-diene
CID 57082437
pentaconta-1,25-diene
CID 90941740
triaconta-1,19-diene
CID 54007897
hexadeca-1,10-diene
CID 56606054

Frequently Asked Questions

What is the IUPAC name of (9E)-nonadeca-9,18-diene-6,7-diol?
The IUPAC name of (9E)-nonadeca-9,18-diene-6,7-diol (CID 20847648) is (9E)-nonadeca-9,18-diene-6,7-diol.
What is the SMILES notation for (9E)-nonadeca-9,18-diene-6,7-diol?
The canonical SMILES for (9E)-nonadeca-9,18-diene-6,7-diol is C=CCCCCCCC/C=C/CC(O)C(O)CCCCC.
What is the InChIKey of (9E)-nonadeca-9,18-diene-6,7-diol?
The InChIKey is DJFPWUBTBKGAGA-FYWRMAATSA-N. The full InChI is InChI=1S/C19H36O2/c1-3-5-7-8-9-10-11-12-13-15-17-19(21)18(20)16-14-6-4-2/h3,13,15,18-21H,1,4-12,14,16-17H2,2H3/b15-13+.
What are the key properties of (9E)-nonadeca-9,18-diene-6,7-diol?
(9E)-nonadeca-9,18-diene-6,7-diol has a molecular weight of 296.50 g/mol, XLogP of 5.15, 15 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (9E)-nonadeca-9,18-diene-6,7-diol is sourced from PubChem (CID 20847648), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).