3,4-dimethyl-2-trimethylsilyloxypent-3-enenitrile

C10H19NOSi — CID 134894378

IUPAC3,4-dimethyl-2-trimethylsilyloxypent-3-enenitrile
SMILESCC(C)=C(C)C(C#N)O[Si](C)(C)C
InChIInChI=1S/C10H19NOSi/c1-8(2)9(3)10(7-11)12-13(4,5)6/h10H,1-6H3
InChIKeySYEAHVHQRSOAQE-UHFFFAOYSA-N
MW197.35 g/mol
LogP3.09
Rot. Bonds3

About 3,4-dimethyl-2-trimethylsilyloxypent-3-enenitrile

3,4-dimethyl-2-trimethylsilyloxypent-3-enenitrile (PubChem CID 134894378) has the molecular formula C10H19NOSi and a molecular weight of 197.35 g/mol. Its IUPAC name is 3,4-dimethyl-2-trimethylsilyloxypent-3-enenitrile.

Molecular Properties

Compound Name3,4-dimethyl-2-trimethylsilyloxypent-3-enenitrile
PubChem CID134894378
Molecular FormulaC10H19NOSi
Molecular Weight197.35 g/mol
Exact Mass197.12
IUPAC Name3,4-dimethyl-2-trimethylsilyloxypent-3-enenitrile
SMILESCC(C)=C(C)C(C#N)O[Si](C)(C)C
InChIInChI=1S/C10H19NOSi/c1-8(2)9(3)10(7-11)12-13(4,5)6/h10H,1-6H3
InChIKeySYEAHVHQRSOAQE-UHFFFAOYSA-N
XLogP3.09
TPSA33.02 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500197.35
LogP ≤ 53.09
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 3,4-dimethyl-2-trimethylsilyloxypent-3-enenitrile?
The IUPAC name of 3,4-dimethyl-2-trimethylsilyloxypent-3-enenitrile (CID 134894378) is 3,4-dimethyl-2-trimethylsilyloxypent-3-enenitrile.
What is the SMILES notation for 3,4-dimethyl-2-trimethylsilyloxypent-3-enenitrile?
The canonical SMILES for 3,4-dimethyl-2-trimethylsilyloxypent-3-enenitrile is CC(C)=C(C)C(C#N)O[Si](C)(C)C.
What is the InChIKey of 3,4-dimethyl-2-trimethylsilyloxypent-3-enenitrile?
The InChIKey is SYEAHVHQRSOAQE-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H19NOSi/c1-8(2)9(3)10(7-11)12-13(4,5)6/h10H,1-6H3.
What are the key properties of 3,4-dimethyl-2-trimethylsilyloxypent-3-enenitrile?
3,4-dimethyl-2-trimethylsilyloxypent-3-enenitrile has a molecular weight of 197.35 g/mol, XLogP of 3.09, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3,4-dimethyl-2-trimethylsilyloxypent-3-enenitrile is sourced from PubChem (CID 134894378), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).