hexatriaconta-2,6,10,14,18,22,26,30,34-nonaene

C36H56 — CID 154144745

IUPAChexatriaconta-2,6,10,14,18,22,26,30,34-nonaene
SMILESCC=CCCC=CCCC=CCCC=CCCC=CCCC=CCCC=CCCC=CCCC=CC
InChIInChI=1S/C36H56/c1-3-5-7-9-11-13-15-17-19-21-23-25-27-29-31-33-35-36-34-32-30-28-26-24-22-20-18-16-14-12-10-8-6-4-2/h3-6,11-14,19-22,27-30,35-36H,7-10,15-18,23-26,31-34H2,1-2H3
InChIKeyJBYIWJOTISADFF-UHFFFAOYSA-N
MW488.84 g/mol
LogP12.27
Rot. Bonds24

About hexatriaconta-2,6,10,14,18,22,26,30,34-nonaene

hexatriaconta-2,6,10,14,18,22,26,30,34-nonaene (PubChem CID 154144745) has the molecular formula C36H56 and a molecular weight of 488.84 g/mol. Its IUPAC name is hexatriaconta-2,6,10,14,18,22,26,30,34-nonaene.

Molecular Properties

Compound Namehexatriaconta-2,6,10,14,18,22,26,30,34-nonaene
PubChem CID154144745
Molecular FormulaC36H56
Molecular Weight488.84 g/mol
Exact Mass488.44
IUPAC Namehexatriaconta-2,6,10,14,18,22,26,30,34-nonaene
SMILESCC=CCCC=CCCC=CCCC=CCCC=CCCC=CCCC=CCCC=CCCC=CC
InChIInChI=1S/C36H56/c1-3-5-7-9-11-13-15-17-19-21-23-25-27-29-31-33-35-36-34-32-30-28-26-24-22-20-18-16-14-12-10-8-6-4-2/h3-6,11-14,19-22,27-30,35-36H,7-10,15-18,23-26,31-34H2,1-2H3
InChIKeyJBYIWJOTISADFF-UHFFFAOYSA-N
XLogP12.27
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds24
Heavy Atoms36
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500488.84
LogP ≤ 512.27
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 hexatriaconta-2,6,10,14,18,22,26,30,34-nonaene 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

(2E,6Z,10E)-dodeca-2,6,10-triene
CID 12503721
(2E,6E,10E,14E,18E,22E)-tetracosa-2,6,10,14,18,22-hexaene
CID 57417215
(6Z)-deca-2,6-diene
CID 159397578
(2E,6E,10E,14E)-hexadeca-2,6,10,14-tetraen-1-ol
CID 21397771
icosa-2,10,18-triene
CID 74063823
hentriaconta-2,10,29-triene
CID 150025785
trimethyl(octa-2,6-dienyl)silane
CID 552161
(1Z,5Z)-hepta-1,5-dien-1-amine
CID 152891623
pentadeca-2,6-diene
CID 165019979
(2Z,6E)-dodeca-2,6-diene;palladium
CID 158734810
undeca-4,9-dienal
CID 72565371
but-2-ene;hex-2-ene;oct-4-ene;ruthenium
CID 161087465

Frequently Asked Questions

What is the IUPAC name of hexatriaconta-2,6,10,14,18,22,26,30,34-nonaene?
The IUPAC name of hexatriaconta-2,6,10,14,18,22,26,30,34-nonaene (CID 154144745) is hexatriaconta-2,6,10,14,18,22,26,30,34-nonaene.
What is the SMILES notation for hexatriaconta-2,6,10,14,18,22,26,30,34-nonaene?
The canonical SMILES for hexatriaconta-2,6,10,14,18,22,26,30,34-nonaene is CC=CCCC=CCCC=CCCC=CCCC=CCCC=CCCC=CCCC=CCCC=CC.
What is the InChIKey of hexatriaconta-2,6,10,14,18,22,26,30,34-nonaene?
The InChIKey is JBYIWJOTISADFF-UHFFFAOYSA-N. The full InChI is InChI=1S/C36H56/c1-3-5-7-9-11-13-15-17-19-21-23-25-27-29-31-33-35-36-34-32-30-28-26-24-22-20-18-16-14-12-10-8-6-4-2/h3-6,11-14,19-22,27-30,35-36H,7-10,15-18,23-26,31-34H2,1-2H3.
What are the key properties of hexatriaconta-2,6,10,14,18,22,26,30,34-nonaene?
hexatriaconta-2,6,10,14,18,22,26,30,34-nonaene has a molecular weight of 488.84 g/mol, XLogP of 12.27, 24 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for hexatriaconta-2,6,10,14,18,22,26,30,34-nonaene is sourced from PubChem (CID 154144745), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).