1-heptyl-5-methylcyclohexadeca-1,3,5,7,9,11,13,15-octaene

C24H32 — CID 123636204

IUPAC1-heptyl-5-methylcyclohexadeca-1,3,5,7,9,11,13,15-octaene
SMILESCCCCCCCC1=CC=CC(C)=CC=CC=CC=CC=CC=C1
InChIInChI=1S/C24H32/c1-3-4-5-11-15-20-24-21-16-13-10-8-6-7-9-12-14-18-23(2)19-17-22-24/h6-10,12-14,16-19,21-22H,3-5,11,15,20H2,1-2H3
InChIKeyWRDBWHIHUOZXGE-UHFFFAOYSA-N
MW320.52 g/mol
LogP7.57
Rot. Bonds6

About 1-heptyl-5-methylcyclohexadeca-1,3,5,7,9,11,13,15-octaene

1-heptyl-5-methylcyclohexadeca-1,3,5,7,9,11,13,15-octaene (PubChem CID 123636204) has the molecular formula C24H32 and a molecular weight of 320.52 g/mol. Its IUPAC name is 1-heptyl-5-methylcyclohexadeca-1,3,5,7,9,11,13,15-octaene.

Molecular Properties

Compound Name1-heptyl-5-methylcyclohexadeca-1,3,5,7,9,11,13,15-octaene
PubChem CID123636204
Molecular FormulaC24H32
Molecular Weight320.52 g/mol
Exact Mass320.25
IUPAC Name1-heptyl-5-methylcyclohexadeca-1,3,5,7,9,11,13,15-octaene
SMILESCCCCCCCC1=CC=CC(C)=CC=CC=CC=CC=CC=C1
InChIInChI=1S/C24H32/c1-3-4-5-11-15-20-24-21-16-13-10-8-6-7-9-12-14-18-23(2)19-17-22-24/h6-10,12-14,16-19,21-22H,3-5,11,15,20H2,1-2H3
InChIKeyWRDBWHIHUOZXGE-UHFFFAOYSA-N
XLogP7.57
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500320.52
LogP ≤ 57.57
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

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

Analyze 1-heptyl-5-methylcyclohexadeca-1,3,5,7,9,11,13,15-octaene 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

1-hexyl-4-methylcycloocta-1,3,5,7-tetraene
CID 123846771
CID 142048626
CID 142048626
3-bromopropylcyclooctatetraene
CID 123682360
1-cyclododecyl-4-nonylazepine
CID 174936456
(1Z,3Z,5Z,7Z)-1,3-dimethylcycloocta-1,3,5,7-tetraene
CID 139752949
2-heptadecylcyclopenta-1,3-diene
CID 91156945
3-methyl-7-pentylcyclohepta-1,3,5-triene
CID 142802346
CID 134888814
CID 134888814
undecane chloride
CID 19736895
2-decyl-1H-imidazole
CID 3089145
2-octyl-1H-imidazole
CID 18347297
5-methyl-2-tetradecylcyclopenta-1,3-diene
CID 90487597

Frequently Asked Questions

What is the IUPAC name of 1-heptyl-5-methylcyclohexadeca-1,3,5,7,9,11,13,15-octaene?
The IUPAC name of 1-heptyl-5-methylcyclohexadeca-1,3,5,7,9,11,13,15-octaene (CID 123636204) is 1-heptyl-5-methylcyclohexadeca-1,3,5,7,9,11,13,15-octaene.
What is the SMILES notation for 1-heptyl-5-methylcyclohexadeca-1,3,5,7,9,11,13,15-octaene?
The canonical SMILES for 1-heptyl-5-methylcyclohexadeca-1,3,5,7,9,11,13,15-octaene is CCCCCCCC1=CC=CC(C)=CC=CC=CC=CC=CC=C1.
What is the InChIKey of 1-heptyl-5-methylcyclohexadeca-1,3,5,7,9,11,13,15-octaene?
The InChIKey is WRDBWHIHUOZXGE-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H32/c1-3-4-5-11-15-20-24-21-16-13-10-8-6-7-9-12-14-18-23(2)19-17-22-24/h6-10,12-14,16-19,21-22H,3-5,11,15,20H2,1-2H3.
What are the key properties of 1-heptyl-5-methylcyclohexadeca-1,3,5,7,9,11,13,15-octaene?
1-heptyl-5-methylcyclohexadeca-1,3,5,7,9,11,13,15-octaene has a molecular weight of 320.52 g/mol, XLogP of 7.57, 6 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 1-heptyl-5-methylcyclohexadeca-1,3,5,7,9,11,13,15-octaene is sourced from PubChem (CID 123636204), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).