phenyl-[4-(2,6,6-trimethylcyclohexen-1-yl)but-3-en-2-yl]diazene

C19H26N2 — CID 57140272

IUPACphenyl-[4-(2,6,6-trimethylcyclohexen-1-yl)but-3-en-2-yl]diazene
SMILESCC1=C(C=CC(C)/N=N/c2ccccc2)C(C)(C)CCC1
InChIInChI=1S/C19H26N2/c1-15-9-8-14-19(3,4)18(15)13-12-16(2)20-21-17-10-6-5-7-11-17/h5-7,10-13,16H,8-9,14H2,1-4H3/b13-12?,21-20+
InChIKeyJCKYGLGSWJPAFL-TWVZHIECSA-N
MW282.43 g/mol
LogP6.24
Rot. Bonds4

About phenyl-[4-(2,6,6-trimethylcyclohexen-1-yl)but-3-en-2-yl]diazene

phenyl-[4-(2,6,6-trimethylcyclohexen-1-yl)but-3-en-2-yl]diazene (PubChem CID 57140272) has the molecular formula C19H26N2 and a molecular weight of 282.43 g/mol. Its IUPAC name is phenyl-[4-(2,6,6-trimethylcyclohexen-1-yl)but-3-en-2-yl]diazene.

Molecular Properties

Compound Namephenyl-[4-(2,6,6-trimethylcyclohexen-1-yl)but-3-en-2-yl]diazene
PubChem CID57140272
Molecular FormulaC19H26N2
Molecular Weight282.43 g/mol
Exact Mass282.21
IUPAC Namephenyl-[4-(2,6,6-trimethylcyclohexen-1-yl)but-3-en-2-yl]diazene
SMILESCC1=C(C=CC(C)/N=N/c2ccccc2)C(C)(C)CCC1
InChIInChI=1S/C19H26N2/c1-15-9-8-14-19(3,4)18(15)13-12-16(2)20-21-17-10-6-5-7-11-17/h5-7,10-13,16H,8-9,14H2,1-4H3/b13-12?,21-20+
InChIKeyJCKYGLGSWJPAFL-TWVZHIECSA-N
XLogP6.24
TPSA24.72 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500282.43
LogP ≤ 56.24
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'azo_A(324)', 'substructure': 'N/A'}, {'alert_name': 'diazo_group', 'substructure': 'N/A'}

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Related Compounds

(Z,2S)-4-(2,6,6-trimethylcyclohexen-1-yl)but-3-en-2-ol
CID 76968694
ethane;4-[(E)-4-(2,6,6-trimethylcyclohexen-1-yl)but-3-en-2-yl]benzaldehyde
CID 142889389
2-[(E)-2-(2,6,6-trimethylcyclohexen-1-yl)ethenyl]benzaldehyde
CID 59086530
(E,3R)-3-methyl-5-(2,6,6-trimethylcyclohexen-1-yl)pent-4-enenitrile
CID 129412182
[(2Z,4E)-3-methyl-5-(2,6,6-trimethylcyclohexen-1-yl)penta-2,4-dienyl]benzene
CID 140698386
[3-methyl-5-(2,6,6-trimethylcyclohexen-1-yl)penta-2,4-dienyl]-triphenylphosphanium chloride
CID 3016806
3-methyl-5-phenyl-1-(2,6,6-trimethylcyclohexen-1-yl)pent-1-en-4-yn-3-ol
CID 85152034
(1E,4E)-1-(4-phenylphenyl)-5-(2,6,6-trimethylcyclohexen-1-yl)penta-1,4-dien-3-one
CID 44591382
(E)-3-(2,6,6-trimethylcyclohexen-1-yl)prop-2-enoic acid
CID 5383969
[5-methyl-7-(2,6,6-trimethylcyclohexen-1-yl)hepta-2,4,6-trienyl]-triphenylphosphanium bromide
CID 158600411
2-[[(3E,5E,7E)-6-methyl-8-(2,6,6-trimethylcyclohexen-1-yl)octa-3,5,7-trien-2-ylidene]amino]propanoic acid
CID 143027333
3-methyl-5-[2-[2-(2,6,6-trimethylcyclohexen-1-yl)ethenyl]phenyl]penta-2,4-dienoic acid
CID 54540162

Frequently Asked Questions

What is the IUPAC name of phenyl-[4-(2,6,6-trimethylcyclohexen-1-yl)but-3-en-2-yl]diazene?
The IUPAC name of phenyl-[4-(2,6,6-trimethylcyclohexen-1-yl)but-3-en-2-yl]diazene (CID 57140272) is phenyl-[4-(2,6,6-trimethylcyclohexen-1-yl)but-3-en-2-yl]diazene.
What is the SMILES notation for phenyl-[4-(2,6,6-trimethylcyclohexen-1-yl)but-3-en-2-yl]diazene?
The canonical SMILES for phenyl-[4-(2,6,6-trimethylcyclohexen-1-yl)but-3-en-2-yl]diazene is CC1=C(C=CC(C)/N=N/c2ccccc2)C(C)(C)CCC1.
What is the InChIKey of phenyl-[4-(2,6,6-trimethylcyclohexen-1-yl)but-3-en-2-yl]diazene?
The InChIKey is JCKYGLGSWJPAFL-TWVZHIECSA-N. The full InChI is InChI=1S/C19H26N2/c1-15-9-8-14-19(3,4)18(15)13-12-16(2)20-21-17-10-6-5-7-11-17/h5-7,10-13,16H,8-9,14H2,1-4H3/b13-12?,21-20+.
What are the key properties of phenyl-[4-(2,6,6-trimethylcyclohexen-1-yl)but-3-en-2-yl]diazene?
phenyl-[4-(2,6,6-trimethylcyclohexen-1-yl)but-3-en-2-yl]diazene has a molecular weight of 282.43 g/mol, XLogP of 6.24, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for phenyl-[4-(2,6,6-trimethylcyclohexen-1-yl)but-3-en-2-yl]diazene is sourced from PubChem (CID 57140272), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).