(E)-2-methyl-4-(2,6,6-trimethylcyclohexen-1-yl)-2-trimethylsilyloxybut-3-enenitrile

C17H29NOSi — CID 10266298

IUPAC(E)-2-methyl-4-(2,6,6-trimethylcyclohexen-1-yl)-2-trimethylsilyloxybut-3-enenitrile
SMILESCC1=C(/C=C/C(C)(C#N)O[Si](C)(C)C)C(C)(C)CCC1
InChIInChI=1S/C17H29NOSi/c1-14-9-8-11-16(2,3)15(14)10-12-17(4,13-18)19-20(5,6)7/h10,12H,8-9,11H2,1-7H3/b12-10+
InChIKeyRPVSAZRHMMFIEK-ZRDIBKRKSA-N
MW291.51 g/mol
LogP5.20
Rot. Bonds4

About (E)-2-methyl-4-(2,6,6-trimethylcyclohexen-1-yl)-2-trimethylsilyloxybut-3-enenitrile

(E)-2-methyl-4-(2,6,6-trimethylcyclohexen-1-yl)-2-trimethylsilyloxybut-3-enenitrile (PubChem CID 10266298) has the molecular formula C17H29NOSi and a molecular weight of 291.51 g/mol. Its IUPAC name is (E)-2-methyl-4-(2,6,6-trimethylcyclohexen-1-yl)-2-trimethylsilyloxybut-3-enenitrile.

Molecular Properties

Compound Name(E)-2-methyl-4-(2,6,6-trimethylcyclohexen-1-yl)-2-trimethylsilyloxybut-3-enenitrile
PubChem CID10266298
Molecular FormulaC17H29NOSi
Molecular Weight291.51 g/mol
Exact Mass291.20
IUPAC Name(E)-2-methyl-4-(2,6,6-trimethylcyclohexen-1-yl)-2-trimethylsilyloxybut-3-enenitrile
SMILESCC1=C(/C=C/C(C)(C#N)O[Si](C)(C)C)C(C)(C)CCC1
InChIInChI=1S/C17H29NOSi/c1-14-9-8-11-16(2,3)15(14)10-12-17(4,13-18)19-20(5,6)7/h10,12H,8-9,11H2,1-7H3/b12-10+
InChIKeyRPVSAZRHMMFIEK-ZRDIBKRKSA-N
XLogP5.20
TPSA33.02 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500291.51
LogP ≤ 55.20
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

Analyze (E)-2-methyl-4-(2,6,6-trimethylcyclohexen-1-yl)-2-trimethylsilyloxybut-3-enenitrile with MolForge

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Related Compounds

trimethyl-[(3E)-4-(2,6,6-trimethylcyclohexen-1-yl)buta-1,3-dien-2-yl]oxysilane
CID 12723061
trimethyl-[(E)-2-methyl-4-(2,6,6-trimethylcyclohexen-1-yl)but-3-en-2-yl]oxysilane
CID 134858958
(3E,5E,7E,9E)-2-[tert-butyl(dimethyl)silyl]oxy-4,8-dimethyl-10-(2,6,6-trimethylcyclohexen-1-yl)deca-3,5,7,9-tetraenenitrile
CID 15479500
2-[Tert-butyl(dimethyl)silyl]oxy-4,8-dimethyl-10-(2,6,6-trimethylcyclohexen-1-yl)deca-3,5,7,9-tetraenenitrile
CID 73195997
triethyl-[(Z)-2-methyl-4-(2,6,6-trimethylcyclohexen-1-yl)but-3-en-2-yl]oxysilane
CID 15440979
triethyl-[(Z)-3-methyl-1-(2,6,6-trimethylcyclohexen-1-yl)pent-1-en-3-yl]oxysilane
CID 15440980
trimethyl-[(1Z)-3-methyl-1-(2,6,6-trimethylcyclohexen-1-yl)penta-1,4-dien-3-yl]oxysilane
CID 15440981
triethyl-[(1Z)-3-methyl-1-(2,6,6-trimethylcyclohexen-1-yl)penta-1,4-dien-3-yl]oxysilane
CID 15440982
(3E,5E,7E,9E)-4,8-dimethyl-10-(2,6,6-trimethylcyclohexen-1-yl)-2-trimethylsilyloxydeca-3,5,7,9-tetraenenitrile
CID 101116648
triethyl-[(E)-2-methyl-4-(2,6,6-trimethylcyclohexen-1-yl)but-3-en-2-yl]oxysilane
CID 102002932
triethyl-[(E)-3-methyl-1-(2,6,6-trimethylcyclohexen-1-yl)pent-1-en-3-yl]oxysilane
CID 102002933

Frequently Asked Questions

What is the IUPAC name of (E)-2-methyl-4-(2,6,6-trimethylcyclohexen-1-yl)-2-trimethylsilyloxybut-3-enenitrile?
The IUPAC name of (E)-2-methyl-4-(2,6,6-trimethylcyclohexen-1-yl)-2-trimethylsilyloxybut-3-enenitrile (CID 10266298) is (E)-2-methyl-4-(2,6,6-trimethylcyclohexen-1-yl)-2-trimethylsilyloxybut-3-enenitrile.
What is the SMILES notation for (E)-2-methyl-4-(2,6,6-trimethylcyclohexen-1-yl)-2-trimethylsilyloxybut-3-enenitrile?
The canonical SMILES for (E)-2-methyl-4-(2,6,6-trimethylcyclohexen-1-yl)-2-trimethylsilyloxybut-3-enenitrile is CC1=C(/C=C/C(C)(C#N)O[Si](C)(C)C)C(C)(C)CCC1.
What is the InChIKey of (E)-2-methyl-4-(2,6,6-trimethylcyclohexen-1-yl)-2-trimethylsilyloxybut-3-enenitrile?
The InChIKey is RPVSAZRHMMFIEK-ZRDIBKRKSA-N. The full InChI is InChI=1S/C17H29NOSi/c1-14-9-8-11-16(2,3)15(14)10-12-17(4,13-18)19-20(5,6)7/h10,12H,8-9,11H2,1-7H3/b12-10+.
What are the key properties of (E)-2-methyl-4-(2,6,6-trimethylcyclohexen-1-yl)-2-trimethylsilyloxybut-3-enenitrile?
(E)-2-methyl-4-(2,6,6-trimethylcyclohexen-1-yl)-2-trimethylsilyloxybut-3-enenitrile has a molecular weight of 291.51 g/mol, XLogP of 5.20, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (E)-2-methyl-4-(2,6,6-trimethylcyclohexen-1-yl)-2-trimethylsilyloxybut-3-enenitrile is sourced from PubChem (CID 10266298), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).