[1-cyano-2-(trimethylsilylmethyl)prop-2-enyl] acetate

C10H17NO2Si — CID 23657059

IUPAC[1-cyano-2-(trimethylsilylmethyl)prop-2-enyl] acetate
SMILESC=C(C[Si](C)(C)C)C(C#N)OC(C)=O
InChIInChI=1S/C10H17NO2Si/c1-8(7-14(3,4)5)10(6-11)13-9(2)12/h10H,1,7H2,2-5H3
InChIKeyRYZMGPWEDJJZNZ-UHFFFAOYSA-N
MW211.34 g/mol
LogP2.34
Rot. Bonds4

About [1-cyano-2-(trimethylsilylmethyl)prop-2-enyl] acetate

[1-cyano-2-(trimethylsilylmethyl)prop-2-enyl] acetate (PubChem CID 23657059) has the molecular formula C10H17NO2Si and a molecular weight of 211.34 g/mol. Its IUPAC name is [1-cyano-2-(trimethylsilylmethyl)prop-2-enyl] acetate.

Molecular Properties

Compound Name[1-cyano-2-(trimethylsilylmethyl)prop-2-enyl] acetate
PubChem CID23657059
Molecular FormulaC10H17NO2Si
Molecular Weight211.34 g/mol
Exact Mass211.10
IUPAC Name[1-cyano-2-(trimethylsilylmethyl)prop-2-enyl] acetate
SMILESC=C(C[Si](C)(C)C)C(C#N)OC(C)=O
InChIInChI=1S/C10H17NO2Si/c1-8(7-14(3,4)5)10(6-11)13-9(2)12/h10H,1,7H2,2-5H3
InChIKeyRYZMGPWEDJJZNZ-UHFFFAOYSA-N
XLogP2.34
TPSA50.09 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500211.34
LogP ≤ 52.34
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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 [1-cyano-2-(trimethylsilylmethyl)prop-2-enyl] acetate?
The IUPAC name of [1-cyano-2-(trimethylsilylmethyl)prop-2-enyl] acetate (CID 23657059) is [1-cyano-2-(trimethylsilylmethyl)prop-2-enyl] acetate.
What is the SMILES notation for [1-cyano-2-(trimethylsilylmethyl)prop-2-enyl] acetate?
The canonical SMILES for [1-cyano-2-(trimethylsilylmethyl)prop-2-enyl] acetate is C=C(C[Si](C)(C)C)C(C#N)OC(C)=O.
What is the InChIKey of [1-cyano-2-(trimethylsilylmethyl)prop-2-enyl] acetate?
The InChIKey is RYZMGPWEDJJZNZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H17NO2Si/c1-8(7-14(3,4)5)10(6-11)13-9(2)12/h10H,1,7H2,2-5H3.
What are the key properties of [1-cyano-2-(trimethylsilylmethyl)prop-2-enyl] acetate?
[1-cyano-2-(trimethylsilylmethyl)prop-2-enyl] acetate has a molecular weight of 211.34 g/mol, XLogP of 2.34, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [1-cyano-2-(trimethylsilylmethyl)prop-2-enyl] acetate is sourced from PubChem (CID 23657059), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).