2,2,3,3-tetramethoxy-4-[2-(4-methylphenyl)ethenyl]cyclobutane-1,1-dicarbonitrile

C19H22N2O4 — CID 3616713

IUPAC2,2,3,3-tetramethoxy-4-[2-(4-methylphenyl)ethenyl]cyclobutane-1,1-dicarbonitrile
SMILESCOC1(OC)C(C=Cc2ccc(C)cc2)C(C#N)(C#N)C1(OC)OC
InChIInChI=1S/C19H22N2O4/c1-14-6-8-15(9-7-14)10-11-16-17(12-20,13-21)19(24-4,25-5)18(16,22-2)23-3/h6-11,16H,1-5H3
InChIKeyGYTCFYIQKPCWCT-UHFFFAOYSA-N
MW342.40 g/mol
LogP2.65
Rot. Bonds6

About 2,2,3,3-tetramethoxy-4-[2-(4-methylphenyl)ethenyl]cyclobutane-1,1-dicarbonitrile

2,2,3,3-tetramethoxy-4-[2-(4-methylphenyl)ethenyl]cyclobutane-1,1-dicarbonitrile (PubChem CID 3616713) has the molecular formula C19H22N2O4 and a molecular weight of 342.40 g/mol. Its IUPAC name is 2,2,3,3-tetramethoxy-4-[2-(4-methylphenyl)ethenyl]cyclobutane-1,1-dicarbonitrile.

Molecular Properties

Compound Name2,2,3,3-tetramethoxy-4-[2-(4-methylphenyl)ethenyl]cyclobutane-1,1-dicarbonitrile
PubChem CID3616713
Molecular FormulaC19H22N2O4
Molecular Weight342.40 g/mol
Exact Mass342.16
IUPAC Name2,2,3,3-tetramethoxy-4-[2-(4-methylphenyl)ethenyl]cyclobutane-1,1-dicarbonitrile
SMILESCOC1(OC)C(C=Cc2ccc(C)cc2)C(C#N)(C#N)C1(OC)OC
InChIInChI=1S/C19H22N2O4/c1-14-6-8-15(9-7-14)10-11-16-17(12-20,13-21)19(24-4,25-5)18(16,22-2)23-3/h6-11,16H,1-5H3
InChIKeyGYTCFYIQKPCWCT-UHFFFAOYSA-N
XLogP2.65
TPSA84.50 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500342.40
LogP ≤ 52.65
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'het-C-het_not_in_ring', 'substructure': 'N/A'}

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Related Compounds

trans-(1R,4S)-1-(benzenesulfonyl)-2,2,3,3-tetramethoxy-4-[(Z)-2-phenylethenyl]cyclobutane-1-carbonitrile
CID 40733941
2,4,6-tris[(E)-2-(4-methylphenyl)ethenyl]benzene-1,3,5-tricarbonitrile
CID 101132259
1-methyl-4-[2-(2,2,3-trimethylcyclopropyl)ethenyl]benzene
CID 59903117
dimethyl 2,2-dicyano-3-(4-methylphenyl)cyclopropane-1,1-dicarboxylate
CID 101424727
ethane;1-methyl-4-[2-(4-methylphenyl)ethenyl]benzene
CID 91206086
ethane;1-methyl-4-[2-(4-methylphenyl)ethenyl]benzene
CID 90770914
1-[2-(2,2-dichlorocyclopropyl)ethenyl]-4-methylbenzene
CID 71384042
trans-(2R,3S)-2-(4-chlorophenyl)-3-[(E)-2-phenylethenyl]cyclopropane-1,1,2-tricarbonitrile
CID 46203818
ethane;4-methyl-N-[4-[(E)-2-[4-[(E)-2-[4-(4-methyl-N-(4-methylphenyl)anilino)phenyl]ethenyl]phenyl]ethenyl]phenyl]-N-(4-methylphenyl)aniline
CID 143133606
N-methyl-4-[2-(4-methylphenyl)ethenyl]-N-[4-[2-(4-methylphenyl)ethenyl]phenyl]aniline
CID 72543320
cis-dimethyl (2S,3R)-3-[(E)-2-(4-methoxyphenyl)ethenyl]-2-methyl-2-(4-methylbenzoyl)cyclopropane-1,1-dicarboxylate
CID 7310614
5-(4-methylphenyl)pent-4-enenitrile
CID 174636399

Frequently Asked Questions

What is the IUPAC name of 2,2,3,3-tetramethoxy-4-[2-(4-methylphenyl)ethenyl]cyclobutane-1,1-dicarbonitrile?
The IUPAC name of 2,2,3,3-tetramethoxy-4-[2-(4-methylphenyl)ethenyl]cyclobutane-1,1-dicarbonitrile (CID 3616713) is 2,2,3,3-tetramethoxy-4-[2-(4-methylphenyl)ethenyl]cyclobutane-1,1-dicarbonitrile.
What is the SMILES notation for 2,2,3,3-tetramethoxy-4-[2-(4-methylphenyl)ethenyl]cyclobutane-1,1-dicarbonitrile?
The canonical SMILES for 2,2,3,3-tetramethoxy-4-[2-(4-methylphenyl)ethenyl]cyclobutane-1,1-dicarbonitrile is COC1(OC)C(C=Cc2ccc(C)cc2)C(C#N)(C#N)C1(OC)OC.
What is the InChIKey of 2,2,3,3-tetramethoxy-4-[2-(4-methylphenyl)ethenyl]cyclobutane-1,1-dicarbonitrile?
The InChIKey is GYTCFYIQKPCWCT-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H22N2O4/c1-14-6-8-15(9-7-14)10-11-16-17(12-20,13-21)19(24-4,25-5)18(16,22-2)23-3/h6-11,16H,1-5H3.
What are the key properties of 2,2,3,3-tetramethoxy-4-[2-(4-methylphenyl)ethenyl]cyclobutane-1,1-dicarbonitrile?
2,2,3,3-tetramethoxy-4-[2-(4-methylphenyl)ethenyl]cyclobutane-1,1-dicarbonitrile has a molecular weight of 342.40 g/mol, XLogP of 2.65, 6 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2,2,3,3-tetramethoxy-4-[2-(4-methylphenyl)ethenyl]cyclobutane-1,1-dicarbonitrile is sourced from PubChem (CID 3616713), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).