(5E,9E)-nonacosa-5,9-diene

C29H56 — CID 56936191

IUPAC(5E,9E)-nonacosa-5,9-diene
SMILESCCCC/C=C/CC/C=C/CCCCCCCCCCCCCCCCCCC
InChIInChI=1S/C29H56/c1-3-5-7-9-11-13-15-17-19-21-23-25-27-29-28-26-24-22-20-18-16-14-12-10-8-6-4-2/h9,11,17,19H,3-8,10,12-16,18,20-29H2,1-2H3/b11-9+,19-17+
InChIKeyRRDKJAQURBRDKI-QNBOAHBYSA-N
MW404.77 g/mol
LogP11.11
Rot. Bonds24

About (5E,9E)-nonacosa-5,9-diene

(5E,9E)-nonacosa-5,9-diene (PubChem CID 56936191) has the molecular formula C29H56 and a molecular weight of 404.77 g/mol. Its IUPAC name is (5E,9E)-nonacosa-5,9-diene.

Molecular Properties

Compound Name(5E,9E)-nonacosa-5,9-diene
PubChem CID56936191
Molecular FormulaC29H56
Molecular Weight404.77 g/mol
Exact Mass404.44
IUPAC Name(5E,9E)-nonacosa-5,9-diene
SMILESCCCC/C=C/CC/C=C/CCCCCCCCCCCCCCCCCCC
InChIInChI=1S/C29H56/c1-3-5-7-9-11-13-15-17-19-21-23-25-27-29-28-26-24-22-20-18-16-14-12-10-8-6-4-2/h9,11,17,19H,3-8,10,12-16,18,20-29H2,1-2H3/b11-9+,19-17+
InChIKeyRRDKJAQURBRDKI-QNBOAHBYSA-N
XLogP11.11
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds24
Heavy Atoms29
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500404.77
LogP ≤ 511.11
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

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

Analyze (5E,9E)-nonacosa-5,9-diene 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

heptadeca-5,9-diene
CID 123203573
docos-5-ene
CID 54227700
nonadec-5-ene
CID 543596
nonacos-7-ene
CID 71381021
(Z)-triacont-9-ene
CID 57484178
hexacont-21-ene
CID 54293076
pentacos-9-ene
CID 25201650
(Z)-heptadec-8-ene
CID 5352243
(6E,10Z,14E)-icosa-6,10,14-triene
CID 53230462
(E)-hexadec-6-ene
CID 5352260
(Z)-docos-9-ene
CID 11690102
(E)-hexacos-10-ene
CID 22172169

Frequently Asked Questions

What is the IUPAC name of (5E,9E)-nonacosa-5,9-diene?
The IUPAC name of (5E,9E)-nonacosa-5,9-diene (CID 56936191) is (5E,9E)-nonacosa-5,9-diene.
What is the SMILES notation for (5E,9E)-nonacosa-5,9-diene?
The canonical SMILES for (5E,9E)-nonacosa-5,9-diene is CCCC/C=C/CC/C=C/CCCCCCCCCCCCCCCCCCC.
What is the InChIKey of (5E,9E)-nonacosa-5,9-diene?
The InChIKey is RRDKJAQURBRDKI-QNBOAHBYSA-N. The full InChI is InChI=1S/C29H56/c1-3-5-7-9-11-13-15-17-19-21-23-25-27-29-28-26-24-22-20-18-16-14-12-10-8-6-4-2/h9,11,17,19H,3-8,10,12-16,18,20-29H2,1-2H3/b11-9+,19-17+.
What are the key properties of (5E,9E)-nonacosa-5,9-diene?
(5E,9E)-nonacosa-5,9-diene has a molecular weight of 404.77 g/mol, XLogP of 11.11, 24 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for (5E,9E)-nonacosa-5,9-diene is sourced from PubChem (CID 56936191), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).