1-cyclohexa-1,5-dien-1-yl-4-heptylbenzene

C19H26 — CID 145496563

IUPAC1-cyclohexa-1,5-dien-1-yl-4-heptylbenzene
SMILESCCCCCCCc1ccc(C2=CCCC=C2)cc1
InChIInChI=1S/C19H26/c1-2-3-4-5-7-10-17-13-15-19(16-14-17)18-11-8-6-9-12-18/h8,11-16H,2-7,9-10H2,1H3
InChIKeyDWMOYMNRDFOUDL-UHFFFAOYSA-N
MW254.42 g/mol
LogP5.93
Rot. Bonds7

About 1-cyclohexa-1,5-dien-1-yl-4-heptylbenzene

1-cyclohexa-1,5-dien-1-yl-4-heptylbenzene (PubChem CID 145496563) has the molecular formula C19H26 and a molecular weight of 254.42 g/mol. Its IUPAC name is 1-cyclohexa-1,5-dien-1-yl-4-heptylbenzene.

Molecular Properties

Compound Name1-cyclohexa-1,5-dien-1-yl-4-heptylbenzene
PubChem CID145496563
Molecular FormulaC19H26
Molecular Weight254.42 g/mol
Exact Mass254.20
IUPAC Name1-cyclohexa-1,5-dien-1-yl-4-heptylbenzene
SMILESCCCCCCCc1ccc(C2=CCCC=C2)cc1
InChIInChI=1S/C19H26/c1-2-3-4-5-7-10-17-13-15-19(16-14-17)18-11-8-6-9-12-18/h8,11-16H,2-7,9-10H2,1H3
InChIKeyDWMOYMNRDFOUDL-UHFFFAOYSA-N
XLogP5.93
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds7
Heavy Atoms19
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500254.42
LogP ≤ 55.93
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

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

Analyze 1-cyclohexa-1,5-dien-1-yl-4-heptylbenzene 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

ethyl (2R)-5-(4-cyclohexa-1,5-dien-1-ylphenyl)-2-methylpentanoate
CID 126672031
1-octyl-4-(4-octylphenyl)benzene
CID 22766415
1-butyl-4-nonylbenzene
CID 59545302
6-decyl-2-(6-decylazulen-2-yl)azulene
CID 177425014
1-methyl-4-octylbenzene
CID 11052746
1-decyl-4-[4-(4-methylcyclohexyl)cyclohexa-1,5-dien-1-yl]benzene
CID 19005633
1-pentadecyl-4-phenylbenzene
CID 57166115
(4-heptylphenyl)borane
CID 123446258
1-(4-pentylphenyl)-4-[2-(4-propylphenyl)ethyl]benzene
CID 19906985
1-ethyl-4-octacosylbenzene
CID 175218304
1-(chloromethyl)-4-(4-nonylphenyl)benzene
CID 21284608
4-(4-octadecylphenyl)benzenethiol
CID 134936183

Frequently Asked Questions

What is the IUPAC name of 1-cyclohexa-1,5-dien-1-yl-4-heptylbenzene?
The IUPAC name of 1-cyclohexa-1,5-dien-1-yl-4-heptylbenzene (CID 145496563) is 1-cyclohexa-1,5-dien-1-yl-4-heptylbenzene.
What is the SMILES notation for 1-cyclohexa-1,5-dien-1-yl-4-heptylbenzene?
The canonical SMILES for 1-cyclohexa-1,5-dien-1-yl-4-heptylbenzene is CCCCCCCc1ccc(C2=CCCC=C2)cc1.
What is the InChIKey of 1-cyclohexa-1,5-dien-1-yl-4-heptylbenzene?
The InChIKey is DWMOYMNRDFOUDL-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H26/c1-2-3-4-5-7-10-17-13-15-19(16-14-17)18-11-8-6-9-12-18/h8,11-16H,2-7,9-10H2,1H3.
What are the key properties of 1-cyclohexa-1,5-dien-1-yl-4-heptylbenzene?
1-cyclohexa-1,5-dien-1-yl-4-heptylbenzene has a molecular weight of 254.42 g/mol, XLogP of 5.93, 7 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 1-cyclohexa-1,5-dien-1-yl-4-heptylbenzene is sourced from PubChem (CID 145496563), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).