Silanol, 1,1,1-triethyl-, 1-acetate

C8H18O2Si — CID 79173

IUPACtriethylsilyl acetate
SMILESCC[Si](CC)(CC)OC(=O)C
InChIInChI=1S/C8H18O2Si/c1-5-11(6-2,7-3)10-8(4)9/h5-7H2,1-4H3
InChIKeyAAURKQPZJJMXER-UHFFFAOYSA-N
MW174.31 g/mol
LogP—
Rot. Bonds5

About Silanol, 1,1,1-triethyl-, 1-acetate

Silanol, 1,1,1-triethyl-, 1-acetate (PubChem CID 79173) has the molecular formula C8H18O2Si and a molecular weight of 174.31 g/mol. Its IUPAC name is triethylsilyl acetate.

Molecular Properties

Compound NameSilanol, 1,1,1-triethyl-, 1-acetate
PubChem CID79173
Molecular FormulaC8H18O2Si
Molecular Weight174.31 g/mol
Exact Mass174.11
IUPAC Nametriethylsilyl acetate
SMILESCC[Si](CC)(CC)OC(=O)C
InChIInChI=1S/C8H18O2Si/c1-5-11(6-2,7-3)10-8(4)9/h5-7H2,1-4H3
InChIKeyAAURKQPZJJMXER-UHFFFAOYSA-N
XLogP—
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms11
Complexity122

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500174.31
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

Ethyltriacetoxysilane
CID 87244
Silanol, 1,1,1-trimethyl-, 1-acetate
CID 75988
Trimethylsilyl (trimethylsilyl)acetate
CID 2733573
Propylsilanetriyl triacetate
CID 87339
1-Disiloxanol, 1,1,3,3,3-pentamethyl-, 1-acetate
CID 116807
1,3-Diacetoxytetramethyldisiloxane
CID 2758025
Triethylsilyl propionate
CID 594353
tert-Butyl(dimethyl)silyl propionate
CID 528101
Diacetoxydiethylsilane
CID 87539
Acetic acid, (triethylsilyl)-, methyl ester
CID 594302
Butanoic acid, triethylsilyl ester
CID 599320
Propanoic acid, tripropylsilyl ester
CID 604402

Frequently Asked Questions

What is the IUPAC name of Silanol, 1,1,1-triethyl-, 1-acetate?
The IUPAC name of Silanol, 1,1,1-triethyl-, 1-acetate (CID 79173) is triethylsilyl acetate.
What is the SMILES notation for Silanol, 1,1,1-triethyl-, 1-acetate?
The canonical SMILES for Silanol, 1,1,1-triethyl-, 1-acetate is CC[Si](CC)(CC)OC(=O)C.
What is the InChIKey of Silanol, 1,1,1-triethyl-, 1-acetate?
The InChIKey is AAURKQPZJJMXER-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H18O2Si/c1-5-11(6-2,7-3)10-8(4)9/h5-7H2,1-4H3.
What are the key properties of Silanol, 1,1,1-triethyl-, 1-acetate?
Silanol, 1,1,1-triethyl-, 1-acetate has a molecular weight of 174.31 g/mol, XLogP of not available, 5 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for Silanol, 1,1,1-triethyl-, 1-acetate is sourced from PubChem (CID 79173), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).