(E)-2-methyl-4-phenyl-2-trimethylsilyloxybut-3-enenitrile

C14H19NOSi — CID 11172628

IUPAC(E)-2-methyl-4-phenyl-2-trimethylsilyloxybut-3-enenitrile
SMILESCC(C#N)(/C=C/c1ccccc1)O[Si](C)(C)C
InChIInChI=1S/C14H19NOSi/c1-14(12-15,16-17(2,3)4)11-10-13-8-6-5-7-9-13/h5-11H,1-4H3/b11-10+
InChIKeyNGOVUYGKOJTWKG-ZHACJKMWSA-N
MW245.40 g/mol
LogP3.83
Rot. Bonds4

About (E)-2-methyl-4-phenyl-2-trimethylsilyloxybut-3-enenitrile

(E)-2-methyl-4-phenyl-2-trimethylsilyloxybut-3-enenitrile (PubChem CID 11172628) has the molecular formula C14H19NOSi and a molecular weight of 245.40 g/mol. Its IUPAC name is (E)-2-methyl-4-phenyl-2-trimethylsilyloxybut-3-enenitrile.

Molecular Properties

Compound Name(E)-2-methyl-4-phenyl-2-trimethylsilyloxybut-3-enenitrile
PubChem CID11172628
Molecular FormulaC14H19NOSi
Molecular Weight245.40 g/mol
Exact Mass245.12
IUPAC Name(E)-2-methyl-4-phenyl-2-trimethylsilyloxybut-3-enenitrile
SMILESCC(C#N)(/C=C/c1ccccc1)O[Si](C)(C)C
InChIInChI=1S/C14H19NOSi/c1-14(12-15,16-17(2,3)4)11-10-13-8-6-5-7-9-13/h5-11H,1-4H3/b11-10+
InChIKeyNGOVUYGKOJTWKG-ZHACJKMWSA-N
XLogP3.83
TPSA33.02 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500245.40
LogP ≤ 53.83
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of (E)-2-methyl-4-phenyl-2-trimethylsilyloxybut-3-enenitrile?
The IUPAC name of (E)-2-methyl-4-phenyl-2-trimethylsilyloxybut-3-enenitrile (CID 11172628) is (E)-2-methyl-4-phenyl-2-trimethylsilyloxybut-3-enenitrile.
What is the SMILES notation for (E)-2-methyl-4-phenyl-2-trimethylsilyloxybut-3-enenitrile?
The canonical SMILES for (E)-2-methyl-4-phenyl-2-trimethylsilyloxybut-3-enenitrile is CC(C#N)(/C=C/c1ccccc1)O[Si](C)(C)C.
What is the InChIKey of (E)-2-methyl-4-phenyl-2-trimethylsilyloxybut-3-enenitrile?
The InChIKey is NGOVUYGKOJTWKG-ZHACJKMWSA-N. The full InChI is InChI=1S/C14H19NOSi/c1-14(12-15,16-17(2,3)4)11-10-13-8-6-5-7-9-13/h5-11H,1-4H3/b11-10+.
What are the key properties of (E)-2-methyl-4-phenyl-2-trimethylsilyloxybut-3-enenitrile?
(E)-2-methyl-4-phenyl-2-trimethylsilyloxybut-3-enenitrile has a molecular weight of 245.40 g/mol, XLogP of 3.83, 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-phenyl-2-trimethylsilyloxybut-3-enenitrile is sourced from PubChem (CID 11172628), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).