cyclohexa-1,5-dien-1-ylbenzene;methane

C14H20 — CID 156791104

IUPACcyclohexa-1,5-dien-1-ylbenzene;methane
SMILESC.C.C1=CC(c2ccccc2)=CCC1
InChIInChI=1S/C12H12.2CH4/c1-3-7-11(8-4-1)12-9-5-2-6-10-12;;/h1,3-5,7-10H,2,6H2;2*1H4
InChIKeyOZDQQMMXBZRKOG-UHFFFAOYSA-N
MW188.31 g/mol
LogP4.69
Rot. Bonds1

About cyclohexa-1,5-dien-1-ylbenzene;methane

cyclohexa-1,5-dien-1-ylbenzene;methane (PubChem CID 156791104) has the molecular formula C14H20 and a molecular weight of 188.31 g/mol. Its IUPAC name is cyclohexa-1,5-dien-1-ylbenzene;methane.

Molecular Properties

Compound Namecyclohexa-1,5-dien-1-ylbenzene;methane
PubChem CID156791104
Molecular FormulaC14H20
Molecular Weight188.31 g/mol
Exact Mass188.16
IUPAC Namecyclohexa-1,5-dien-1-ylbenzene;methane
SMILESC.C.C1=CC(c2ccccc2)=CCC1
InChIInChI=1S/C12H12.2CH4/c1-3-7-11(8-4-1)12-9-5-2-6-10-12;;/h1,3-5,7-10H,2,6H2;2*1H4
InChIKeyOZDQQMMXBZRKOG-UHFFFAOYSA-N
XLogP4.69
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds1
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500188.31
LogP ≤ 54.69
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Analyze cyclohexa-1,5-dien-1-ylbenzene;methane 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

2-phenylcycloocta-1,3,5-triene
CID 123254366
1-cyclohexa-1,5-dien-1-yl-3-(2-phenylphenyl)benzene
CID 145066213
2-(4-cyclohexa-1,5-dien-1-ylphenyl)-4-phenyl-1,3,5-triazine
CID 146207336
2-(4-cyclohexa-1,5-dien-1-ylphenyl)-4-(4-phenylphenyl)-1,3,5-triazine
CID 142451993
cyclohexa-1,5-dien-1-ylbenzene;(E)-pent-3-en-1-yne
CID 142034802
N-(4-cyclohexa-1,5-dien-1-ylphenyl)-4-methyl-N-(4-phenylphenyl)aniline
CID 129111085
2-(4-cyclohexa-1,5-dien-1-ylphenyl)-4-(4-methylphenyl)-6-(4-phenylphenyl)-1,3,5-triazine
CID 144569103
1-cyclohexa-1,5-dien-1-yl-4-[4-[1-(4-phenylphenyl)propyl]phenyl]benzene
CID 144527503
1-cyclohexa-1,5-dien-1-yl-2,3,4-triphenylbenzene
CID 174079697
4-(4-cyclohexa-1,5-dien-1-ylphenyl)-2-(4-phenylphenyl)pyridine
CID 138636514
2-(3-cyclohexa-1,5-dien-1-ylphenyl)-4,6-bis(3-phenylphenyl)-1,3,5-triazine
CID 144909896
4-(4-cyclohexa-1,5-dien-1-ylphenyl)-3-phenyl-N,N-bis[3-phenyl-4-(4-phenylphenyl)phenyl]aniline
CID 166990153

Frequently Asked Questions

What is the IUPAC name of cyclohexa-1,5-dien-1-ylbenzene;methane?
The IUPAC name of cyclohexa-1,5-dien-1-ylbenzene;methane (CID 156791104) is cyclohexa-1,5-dien-1-ylbenzene;methane.
What is the SMILES notation for cyclohexa-1,5-dien-1-ylbenzene;methane?
The canonical SMILES for cyclohexa-1,5-dien-1-ylbenzene;methane is C.C.C1=CC(c2ccccc2)=CCC1.
What is the InChIKey of cyclohexa-1,5-dien-1-ylbenzene;methane?
The InChIKey is OZDQQMMXBZRKOG-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H12.2CH4/c1-3-7-11(8-4-1)12-9-5-2-6-10-12;;/h1,3-5,7-10H,2,6H2;2*1H4.
What are the key properties of cyclohexa-1,5-dien-1-ylbenzene;methane?
cyclohexa-1,5-dien-1-ylbenzene;methane has a molecular weight of 188.31 g/mol, XLogP of 4.69, 1 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for cyclohexa-1,5-dien-1-ylbenzene;methane is sourced from PubChem (CID 156791104), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).