3,6-dimethyl-3,6-diphenylcyclohexa-1,4-diene

C20H20 — CID 618605

IUPAC3,6-dimethyl-3,6-diphenylcyclohexa-1,4-diene
SMILESCC1(c2ccccc2)C=CC(C)(c2ccccc2)C=C1
InChIInChI=1S/C20H20/c1-19(17-9-5-3-6-10-17)13-15-20(2,16-14-19)18-11-7-4-8-12-18/h3-16H,1-2H3
InChIKeyKOLMXTCSBRYXIB-UHFFFAOYSA-N
MW260.38 g/mol
LogP5.03
Rot. Bonds2

About 3,6-dimethyl-3,6-diphenylcyclohexa-1,4-diene

3,6-dimethyl-3,6-diphenylcyclohexa-1,4-diene (PubChem CID 618605) has the molecular formula C20H20 and a molecular weight of 260.38 g/mol. Its IUPAC name is 3,6-dimethyl-3,6-diphenylcyclohexa-1,4-diene.

Molecular Properties

Compound Name3,6-dimethyl-3,6-diphenylcyclohexa-1,4-diene
PubChem CID618605
Molecular FormulaC20H20
Molecular Weight260.38 g/mol
Exact Mass260.16
IUPAC Name3,6-dimethyl-3,6-diphenylcyclohexa-1,4-diene
SMILESCC1(c2ccccc2)C=CC(C)(c2ccccc2)C=C1
InChIInChI=1S/C20H20/c1-19(17-9-5-3-6-10-17)13-15-20(2,16-14-19)18-11-7-4-8-12-18/h3-16H,1-2H3
InChIKeyKOLMXTCSBRYXIB-UHFFFAOYSA-N
XLogP5.03
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500260.38
LogP ≤ 55.03
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

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

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Related Compounds

1-methyl-4-(1-methylcycloprop-2-en-1-yl)benzene
CID 121221553
(1-methyl-2,2-diphenylcyclopropyl)benzene
CID 14338185
(1,2-dimethyl-2-phenylcyclopropyl)benzene
CID 3657661
1,2,3,4,5,6,7,8,9,10-decakis-phenylhexacyclo[4.4.0.02,5.03,9.04,8.07,10]decane
CID 132561908
4-[1-(4-aminophenyl)propyl]aniline;azane;benzene-1,2-diamine;4-methyl-4-phenylcyclohexa-2,5-diene-1,1-diamine
CID 175320142
1,3,3,4,6,6-hexamethyl-2,5-diphenyltricyclo[3.1.0.02,4]hexane
CID 134979823
(5R)-2,2,5-trimethyl-5-phenylfuran
CID 129396442
(2S)-2-methyl-2-phenyloxirane
CID 11629614
1-fluoro-2,3-dimethyl-2,3-diphenylaziridine
CID 134994319
(4,4-dimethyl-1-phenylcyclopent-2-en-1-yl)benzene;hydrate
CID 145427653
methane;(1-methylcyclopentyl)benzene
CID 143499824
1-methyl-3,5,7-triphenyladamantane
CID 20728636

Frequently Asked Questions

What is the IUPAC name of 3,6-dimethyl-3,6-diphenylcyclohexa-1,4-diene?
The IUPAC name of 3,6-dimethyl-3,6-diphenylcyclohexa-1,4-diene (CID 618605) is 3,6-dimethyl-3,6-diphenylcyclohexa-1,4-diene.
What is the SMILES notation for 3,6-dimethyl-3,6-diphenylcyclohexa-1,4-diene?
The canonical SMILES for 3,6-dimethyl-3,6-diphenylcyclohexa-1,4-diene is CC1(c2ccccc2)C=CC(C)(c2ccccc2)C=C1.
What is the InChIKey of 3,6-dimethyl-3,6-diphenylcyclohexa-1,4-diene?
The InChIKey is KOLMXTCSBRYXIB-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H20/c1-19(17-9-5-3-6-10-17)13-15-20(2,16-14-19)18-11-7-4-8-12-18/h3-16H,1-2H3.
What are the key properties of 3,6-dimethyl-3,6-diphenylcyclohexa-1,4-diene?
3,6-dimethyl-3,6-diphenylcyclohexa-1,4-diene has a molecular weight of 260.38 g/mol, XLogP of 5.03, 2 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 3,6-dimethyl-3,6-diphenylcyclohexa-1,4-diene is sourced from PubChem (CID 618605), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).