[3-cyanopropyl(dimethyl)silyl] acetate

C8H15NO2Si — CID 167313837

IUPAC[3-cyanopropyl(dimethyl)silyl] acetate
SMILESCC(=O)O[Si](C)(C)CCCC#N
InChIInChI=1S/C8H15NO2Si/c1-8(10)11-12(2,3)7-5-4-6-9/h4-5,7H2,1-3H3
InChIKeyPECWAJARRXEUIG-UHFFFAOYSA-N
MW185.30 g/mol
LogP2.06
Rot. Bonds4

About [3-cyanopropyl(dimethyl)silyl] acetate

[3-cyanopropyl(dimethyl)silyl] acetate (PubChem CID 167313837) has the molecular formula C8H15NO2Si and a molecular weight of 185.30 g/mol. Its IUPAC name is [3-cyanopropyl(dimethyl)silyl] acetate.

Molecular Properties

Compound Name[3-cyanopropyl(dimethyl)silyl] acetate
PubChem CID167313837
Molecular FormulaC8H15NO2Si
Molecular Weight185.30 g/mol
Exact Mass185.09
IUPAC Name[3-cyanopropyl(dimethyl)silyl] acetate
SMILESCC(=O)O[Si](C)(C)CCCC#N
InChIInChI=1S/C8H15NO2Si/c1-8(10)11-12(2,3)7-5-4-6-9/h4-5,7H2,1-3H3
InChIKeyPECWAJARRXEUIG-UHFFFAOYSA-N
XLogP2.06
TPSA50.09 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500185.30
LogP ≤ 52.06
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of [3-cyanopropyl(dimethyl)silyl] acetate?
The IUPAC name of [3-cyanopropyl(dimethyl)silyl] acetate (CID 167313837) is [3-cyanopropyl(dimethyl)silyl] acetate.
What is the SMILES notation for [3-cyanopropyl(dimethyl)silyl] acetate?
The canonical SMILES for [3-cyanopropyl(dimethyl)silyl] acetate is CC(=O)O[Si](C)(C)CCCC#N.
What is the InChIKey of [3-cyanopropyl(dimethyl)silyl] acetate?
The InChIKey is PECWAJARRXEUIG-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H15NO2Si/c1-8(10)11-12(2,3)7-5-4-6-9/h4-5,7H2,1-3H3.
What are the key properties of [3-cyanopropyl(dimethyl)silyl] acetate?
[3-cyanopropyl(dimethyl)silyl] acetate has a molecular weight of 185.30 g/mol, XLogP of 2.06, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [3-cyanopropyl(dimethyl)silyl] acetate is sourced from PubChem (CID 167313837), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).