diacetoxyethylsilane

C6H9O4Si — CID 57248642

IUPAC—
SMILESCC(=O)OC(C[Si])OC(C)=O
InChIInChI=1S/C6H9O4Si/c1-4(7)9-6(3-11)10-5(2)8/h6H,3H2,1-2H3
InChIKeySPOAZMIWXSASQN-UHFFFAOYSA-N
MW173.22 g/mol
LogP0.03
Rot. Bonds3

About diacetoxyethylsilane

diacetoxyethylsilane (PubChem CID 57248642) has the molecular formula C6H9O4Si and a molecular weight of 173.22 g/mol.

Molecular Properties

Compound Namediacetoxyethylsilane
PubChem CID57248642
Molecular FormulaC6H9O4Si
Molecular Weight173.22 g/mol
Exact Mass173.03
IUPAC Name—
SMILESCC(=O)OC(C[Si])OC(C)=O
InChIInChI=1S/C6H9O4Si/c1-4(7)9-6(3-11)10-5(2)8/h6H,3H2,1-2H3
InChIKeySPOAZMIWXSASQN-UHFFFAOYSA-N
XLogP0.03
TPSA52.60 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500173.22
LogP ≤ 50.03
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'heavy_metal', 'substructure': 'N/A'}, {'alert_name': 'het-C-het_not_in_ring', 'substructure': 'N/A'}

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Related Compounds

(1-acetyloxy-3-oxopropyl) acetate
CID 88624567
propane;propan-2-yl acetate
CID 23325886
(1-acetyloxy-4-bromo-4-oxobutyl) acetate
CID 142025326
1-acetyloxypropyl propanoate
CID 141272286
1-silylpropyl acetate
CID 173180610
CID 87143951
CID 87143951
1-hydroxypropyl acetate
CID 21275092
propan-2-yl acetate;hydrochloride
CID 87336432
(2-acetyloxy-1,2-dichloroethyl) acetate
CID 536148
1-acetyloxytetradecyl acetate
CID 88785738
(1-acetyloxy-2-ethylsilyloxyethyl) acetate
CID 172806148
(313C)heptan-4-yl acetate
CID 117065532

Frequently Asked Questions

What is the IUPAC name of diacetoxyethylsilane?
The IUPAC name of diacetoxyethylsilane (CID 57248642) is not available.
What is the SMILES notation for diacetoxyethylsilane?
The canonical SMILES for diacetoxyethylsilane is CC(=O)OC(C[Si])OC(C)=O.
What is the InChIKey of diacetoxyethylsilane?
The InChIKey is SPOAZMIWXSASQN-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H9O4Si/c1-4(7)9-6(3-11)10-5(2)8/h6H,3H2,1-2H3.
What are the key properties of diacetoxyethylsilane?
diacetoxyethylsilane has a molecular weight of 173.22 g/mol, XLogP of 0.03, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for diacetoxyethylsilane is sourced from PubChem (CID 57248642), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).