nonacosa-1,7,9,21-tetraene

C29H52 — CID 175853197

IUPACnonacosa-1,7,9,21-tetraene
SMILESC=CCCCCC=CC=CCCCCCCCCCCC=CCCCCCCC
InChIInChI=1S/C29H52/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/h3,13,15-19H,1,4-12,14,20-29H2,2H3
InChIKeyIAVWCPNHTIIGPZ-UHFFFAOYSA-N
MW400.74 g/mol
LogP10.66
Rot. Bonds23

About nonacosa-1,7,9,21-tetraene

nonacosa-1,7,9,21-tetraene (PubChem CID 175853197) has the molecular formula C29H52 and a molecular weight of 400.74 g/mol. Its IUPAC name is nonacosa-1,7,9,21-tetraene.

Molecular Properties

Compound Namenonacosa-1,7,9,21-tetraene
PubChem CID175853197
Molecular FormulaC29H52
Molecular Weight400.74 g/mol
Exact Mass400.41
IUPAC Namenonacosa-1,7,9,21-tetraene
SMILESC=CCCCCC=CC=CCCCCCCCCCCC=CCCCCCCC
InChIInChI=1S/C29H52/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/h3,13,15-19H,1,4-12,14,20-29H2,2H3
InChIKeyIAVWCPNHTIIGPZ-UHFFFAOYSA-N
XLogP10.66
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds23
Heavy Atoms29
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500400.74
LogP ≤ 510.66
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'}, {'alert_name': 'polyene', 'substructure': 'N/A'}

Analyze nonacosa-1,7,9,21-tetraene 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

(22Z,24Z)-hentriaconta-1,22,24-triene
CID 177463593
triaconta-1,19-diene
CID 54007897
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
hexadeca-1,10-diene
CID 56606054
(10E)-hexadeca-1,10-diene
CID 156743041
heptadeca-1,7-diene
CID 57204265
(7E)-heptadeca-1,7-diene
CID 19050683
(18Z)-heptacosa-1,18-diene
CID 14841085
tetradeca-1,5,7-triene
CID 174048281

Frequently Asked Questions

What is the IUPAC name of nonacosa-1,7,9,21-tetraene?
The IUPAC name of nonacosa-1,7,9,21-tetraene (CID 175853197) is nonacosa-1,7,9,21-tetraene.
What is the SMILES notation for nonacosa-1,7,9,21-tetraene?
The canonical SMILES for nonacosa-1,7,9,21-tetraene is C=CCCCCC=CC=CCCCCCCCCCCC=CCCCCCCC.
What is the InChIKey of nonacosa-1,7,9,21-tetraene?
The InChIKey is IAVWCPNHTIIGPZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C29H52/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/h3,13,15-19H,1,4-12,14,20-29H2,2H3.
What are the key properties of nonacosa-1,7,9,21-tetraene?
nonacosa-1,7,9,21-tetraene has a molecular weight of 400.74 g/mol, XLogP of 10.66, 23 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for nonacosa-1,7,9,21-tetraene is sourced from PubChem (CID 175853197), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).