1,1-bis(ethoxysilyl)ethyl acetate

C8H20O4Si2 — CID 175177816

IUPAC1,1-bis(ethoxysilyl)ethyl acetate
SMILESCCO[SiH2]C(C)(OC(C)=O)[SiH2]OCC
InChIInChI=1S/C8H20O4Si2/c1-5-10-13-8(4,12-7(3)9)14-11-6-2/h5-6,13-14H2,1-4H3
InChIKeyZHGHEVYHHXKLFK-UHFFFAOYSA-N
MW236.42 g/mol
LogP-0.54
Rot. Bonds7

About 1,1-bis(ethoxysilyl)ethyl acetate

1,1-bis(ethoxysilyl)ethyl acetate (PubChem CID 175177816) has the molecular formula C8H20O4Si2 and a molecular weight of 236.42 g/mol. Its IUPAC name is 1,1-bis(ethoxysilyl)ethyl acetate.

Molecular Properties

Compound Name1,1-bis(ethoxysilyl)ethyl acetate
PubChem CID175177816
Molecular FormulaC8H20O4Si2
Molecular Weight236.42 g/mol
Exact Mass236.09
IUPAC Name1,1-bis(ethoxysilyl)ethyl acetate
SMILESCCO[SiH2]C(C)(OC(C)=O)[SiH2]OCC
InChIInChI=1S/C8H20O4Si2/c1-5-10-13-8(4,12-7(3)9)14-11-6-2/h5-6,13-14H2,1-4H3
InChIKeyZHGHEVYHHXKLFK-UHFFFAOYSA-N
XLogP-0.54
TPSA44.76 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500236.42
LogP ≤ 5-0.54
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 1,1-bis(ethoxysilyl)ethyl acetate?
The IUPAC name of 1,1-bis(ethoxysilyl)ethyl acetate (CID 175177816) is 1,1-bis(ethoxysilyl)ethyl acetate.
What is the SMILES notation for 1,1-bis(ethoxysilyl)ethyl acetate?
The canonical SMILES for 1,1-bis(ethoxysilyl)ethyl acetate is CCO[SiH2]C(C)(OC(C)=O)[SiH2]OCC.
What is the InChIKey of 1,1-bis(ethoxysilyl)ethyl acetate?
The InChIKey is ZHGHEVYHHXKLFK-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H20O4Si2/c1-5-10-13-8(4,12-7(3)9)14-11-6-2/h5-6,13-14H2,1-4H3.
What are the key properties of 1,1-bis(ethoxysilyl)ethyl acetate?
1,1-bis(ethoxysilyl)ethyl acetate has a molecular weight of 236.42 g/mol, XLogP of -0.54, 7 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1,1-bis(ethoxysilyl)ethyl acetate is sourced from PubChem (CID 175177816), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).