bis(acetyloxymethyl)silylmethyl acetate

C9H16O6Si — CID 154352505

IUPACbis(acetyloxymethyl)silylmethyl acetate
SMILESCC(=O)OC[SiH](COC(C)=O)COC(C)=O
InChIInChI=1S/C9H16O6Si/c1-7(10)13-4-16(5-14-8(2)11)6-15-9(3)12/h16H,4-6H2,1-3H3
InChIKeyIHNSDAKWUWSLDU-UHFFFAOYSA-N
MW248.31 g/mol
LogP-0.48
Rot. Bonds6

About bis(acetyloxymethyl)silylmethyl acetate

bis(acetyloxymethyl)silylmethyl acetate (PubChem CID 154352505) has the molecular formula C9H16O6Si and a molecular weight of 248.31 g/mol. Its IUPAC name is bis(acetyloxymethyl)silylmethyl acetate.

Molecular Properties

Compound Namebis(acetyloxymethyl)silylmethyl acetate
PubChem CID154352505
Molecular FormulaC9H16O6Si
Molecular Weight248.31 g/mol
Exact Mass248.07
IUPAC Namebis(acetyloxymethyl)silylmethyl acetate
SMILESCC(=O)OC[SiH](COC(C)=O)COC(C)=O
InChIInChI=1S/C9H16O6Si/c1-7(10)13-4-16(5-14-8(2)11)6-15-9(3)12/h16H,4-6H2,1-3H3
InChIKeyIHNSDAKWUWSLDU-UHFFFAOYSA-N
XLogP-0.48
TPSA78.90 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500248.31
LogP ≤ 5-0.48
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': '>_2_ester_groups', 'substructure': 'N/A'}, {'alert_name': 'heavy_metal', 'substructure': 'N/A'}

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Related Compounds

2-oxopropyl acetate;bis(vanadium)
CID 175077929
acetyloxymethyl acetate;azane
CID 172795061
ethyl acetate;trihydrochloride
CID 141039771
ethyl acetate;methanol
CID 173029748
ethyl acetate;methanol
CID 173278723
ethyl acetate;dihydrochloride
CID 21477582
aminomethyl acetate;hydrate
CID 173252999
ethyl acetate;λ2-plumbane
CID 173068495
aminomethyl acetate;dihydrochloride
CID 175752598
ethyl acetate;octacontahydrate
CID 173077486
ethyl acetate;pentacontahydrate
CID 173010597
ethyl acetate;hydroiodide
CID 159926796

Frequently Asked Questions

What is the IUPAC name of bis(acetyloxymethyl)silylmethyl acetate?
The IUPAC name of bis(acetyloxymethyl)silylmethyl acetate (CID 154352505) is bis(acetyloxymethyl)silylmethyl acetate.
What is the SMILES notation for bis(acetyloxymethyl)silylmethyl acetate?
The canonical SMILES for bis(acetyloxymethyl)silylmethyl acetate is CC(=O)OC[SiH](COC(C)=O)COC(C)=O.
What is the InChIKey of bis(acetyloxymethyl)silylmethyl acetate?
The InChIKey is IHNSDAKWUWSLDU-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H16O6Si/c1-7(10)13-4-16(5-14-8(2)11)6-15-9(3)12/h16H,4-6H2,1-3H3.
What are the key properties of bis(acetyloxymethyl)silylmethyl acetate?
bis(acetyloxymethyl)silylmethyl acetate has a molecular weight of 248.31 g/mol, XLogP of -0.48, 6 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for bis(acetyloxymethyl)silylmethyl acetate is sourced from PubChem (CID 154352505), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).