 Home > Encyclopedia > 2,6-ditert-butyl-4-[(2E)-2-(5-methyl-1,2-dihydropyrazol-3-ylidene)ethylidene]cyclohexa-2,5-dien-1-one

2,6-ditert-butyl-4-[(2E)-2-(5-methyl-1,2-dihydropyrazol-3-ylidene)ethylidene]cyclohexa-2,5-dien-1-one

2,6-ditert-butyl-4-[(2E)-2-(5-methyl-1,2-dihydropyrazol-3-ylidene)ethylidene]cyclohexa-2,5-dien-1-one structure

CAS No:
121502-05-4
Formula:
C20H28N2O
Chemical Name:
2,6-ditert-butyl-4-[(2E)-2-(5-methyl-1,2-dihydropyrazol-3-ylidene)ethylidene]cyclohexa-2,5-dien-1-one
Synonyms:
Phenol,2,6-bis(1,1-dimethylethyl)-4-(2-(5-methyl-1H-pyrazol-3-yl)ethenyl)-,(E); 2,6-Bis(1,1-dimethylethyl)-4-(2-(5-methyl-1H-pyrazol-3-yl)ethenyl)phenol;

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2,6-ditert-butyl-4-[(2E)-2-(5-methyl-1,2-dihydropyrazol-3-ylidene)ethylidene]cyclohexa-2,5-dien-1-one Basic Attributes

Molecular Weight：

312.44900

Exact Mass：

312.220163521

Characteristics

PSA：

48.65000

XLogP3：

4.16690

Density：

1.104g/cm3

Boiling Point：

394.6ºC

Flash Point：

108.7ºC

Refractive Index：

1.614

Vapor Pressure：

1.95E-06mmHg at 25°C

Drug Information

MeSH Entry Terms：

2,6-bis(1,1-dimethylethyl)-4-(2-(5-methyl-1H-pyrazol-3-yl)ethenyl)phenol

Computed Properties

Molecular Weight:312.4
XLogP3:5.9
Hydrogen Bond Donor Count:2
Hydrogen Bond Acceptor Count:2
Rotatable Bond Count:4
Exact Mass:312.220163521
Monoisotopic Mass:312.220163521
Topological Polar Surface Area:48.9
Heavy Atom Count:23
Complexity:394
Defined Bond Stereocenter Count:1
Covalently-Bonded Unit Count:1
Compound Is Canonicalized:Yes

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Guide of 2,6-ditert-butyl-4-[(2E)-2-(5-methyl-1,2-dihydropyrazol-3-ylidene)ethylidene]cyclohexa-2,5-dien-1-one

Basic Attributes
Characteristics
Drug Information
Computed Properties

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