(Z)-3-methyl-4-(1,1,3,3-tetramethyl-2,1,3-benzazadisilol-2-yl)but-3-enenitrile

C15H22N2Si2 — CID 134932624

IUPAC(Z)-3-methyl-4-(1,1,3,3-tetramethyl-2,1,3-benzazadisilol-2-yl)but-3-enenitrile
SMILESC/C(=C/N1[Si](C)(C)c2ccccc2[Si]1(C)C)CC#N
InChIInChI=1S/C15H22N2Si2/c1-13(10-11-16)12-17-18(2,3)14-8-6-7-9-15(14)19(17,4)5/h6-9,12H,10H2,1-5H3/b13-12-
InChIKeyXDOLSBFAPDGDAQ-SEYXRHQNSA-N
MW286.53 g/mol
LogP2.64
Rot. Bonds2

About (Z)-3-methyl-4-(1,1,3,3-tetramethyl-2,1,3-benzazadisilol-2-yl)but-3-enenitrile

(Z)-3-methyl-4-(1,1,3,3-tetramethyl-2,1,3-benzazadisilol-2-yl)but-3-enenitrile (PubChem CID 134932624) has the molecular formula C15H22N2Si2 and a molecular weight of 286.53 g/mol. Its IUPAC name is (Z)-3-methyl-4-(1,1,3,3-tetramethyl-2,1,3-benzazadisilol-2-yl)but-3-enenitrile.

Molecular Properties

Compound Name(Z)-3-methyl-4-(1,1,3,3-tetramethyl-2,1,3-benzazadisilol-2-yl)but-3-enenitrile
PubChem CID134932624
Molecular FormulaC15H22N2Si2
Molecular Weight286.53 g/mol
Exact Mass286.13
IUPAC Name(Z)-3-methyl-4-(1,1,3,3-tetramethyl-2,1,3-benzazadisilol-2-yl)but-3-enenitrile
SMILESC/C(=C/N1[Si](C)(C)c2ccccc2[Si]1(C)C)CC#N
InChIInChI=1S/C15H22N2Si2/c1-13(10-11-16)12-17-18(2,3)14-8-6-7-9-15(14)19(17,4)5/h6-9,12H,10H2,1-5H3/b13-12-
InChIKeyXDOLSBFAPDGDAQ-SEYXRHQNSA-N
XLogP2.64
TPSA27.03 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500286.53
LogP ≤ 52.64
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

2-Ethenyl-1,1,3,3-tetramethyl-2,1,3-benzazadisilole
CID 12736304
1,1,3,3-Tetramethyl-2-(2-methylprop-1-enyl)-2,1,3-benzazadisilole
CID 12736306
trimethyl-[(E)-1-(1,1,3,3-tetramethyl-2,1,3-benzazadisilol-2-yl)prop-1-en-2-yl]silane
CID 134931844
2-[(Z)-2-chloroprop-1-enyl]-1,1,3,3-tetramethyl-2,1,3-benzazadisilole
CID 134932047
1,1,3,3-tetramethyl-2-[(Z)-prop-1-enyl]-2,1,3-benzazadisilole
CID 134932131
2-[(Z)-5-bromo-2-methylpent-1-enyl]-1,1,3,3-tetramethyl-2,1,3-benzazadisilole
CID 134932133
(Z)-2-methyl-3-(1,1,3,3-tetramethyl-2,1,3-benzazadisilol-2-yl)prop-2-enenitrile
CID 134932490
(Z)-5-methyl-6-(1,1,3,3-tetramethyl-2,1,3-benzazadisilol-2-yl)hex-5-enenitrile
CID 134932625
trimethyl-[(Z)-1-(1,1,3,3-tetramethyl-2,1,3-benzazadisilol-2-yl)prop-1-en-2-yl]silane
CID 134933437
CID 68483010
CID 68483010
1,1,3,3-Tetraethyl-2-methyl-2,1,3-benzazadisilole
CID 140237415
1,1,2,3,3-Pentamethyl-2,1,3-benzazadisilole
CID 140237421

Frequently Asked Questions

What is the IUPAC name of (Z)-3-methyl-4-(1,1,3,3-tetramethyl-2,1,3-benzazadisilol-2-yl)but-3-enenitrile?
The IUPAC name of (Z)-3-methyl-4-(1,1,3,3-tetramethyl-2,1,3-benzazadisilol-2-yl)but-3-enenitrile (CID 134932624) is (Z)-3-methyl-4-(1,1,3,3-tetramethyl-2,1,3-benzazadisilol-2-yl)but-3-enenitrile.
What is the SMILES notation for (Z)-3-methyl-4-(1,1,3,3-tetramethyl-2,1,3-benzazadisilol-2-yl)but-3-enenitrile?
The canonical SMILES for (Z)-3-methyl-4-(1,1,3,3-tetramethyl-2,1,3-benzazadisilol-2-yl)but-3-enenitrile is C/C(=C/N1[Si](C)(C)c2ccccc2[Si]1(C)C)CC#N.
What is the InChIKey of (Z)-3-methyl-4-(1,1,3,3-tetramethyl-2,1,3-benzazadisilol-2-yl)but-3-enenitrile?
The InChIKey is XDOLSBFAPDGDAQ-SEYXRHQNSA-N. The full InChI is InChI=1S/C15H22N2Si2/c1-13(10-11-16)12-17-18(2,3)14-8-6-7-9-15(14)19(17,4)5/h6-9,12H,10H2,1-5H3/b13-12-.
What are the key properties of (Z)-3-methyl-4-(1,1,3,3-tetramethyl-2,1,3-benzazadisilol-2-yl)but-3-enenitrile?
(Z)-3-methyl-4-(1,1,3,3-tetramethyl-2,1,3-benzazadisilol-2-yl)but-3-enenitrile has a molecular weight of 286.53 g/mol, XLogP of 2.64, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (Z)-3-methyl-4-(1,1,3,3-tetramethyl-2,1,3-benzazadisilol-2-yl)but-3-enenitrile is sourced from PubChem (CID 134932624), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).