[acetyloxy-methyl-(2-methylpropoxy)silyl] acetate

C9H18O5Si — CID 90113013

IUPAC[acetyloxy-methyl-(2-methylpropoxy)silyl] acetate
SMILESCC(=O)O[Si](C)(OCC(C)C)OC(C)=O
InChIInChI=1S/C9H18O5Si/c1-7(2)6-12-15(5,13-8(3)10)14-9(4)11/h7H,6H2,1-5H3
InChIKeyDTEQYKUKMLHBNK-UHFFFAOYSA-N
MW234.32 g/mol
LogP1.35
Rot. Bonds5

About [acetyloxy-methyl-(2-methylpropoxy)silyl] acetate

[acetyloxy-methyl-(2-methylpropoxy)silyl] acetate (PubChem CID 90113013) has the molecular formula C9H18O5Si and a molecular weight of 234.32 g/mol. Its IUPAC name is [acetyloxy-methyl-(2-methylpropoxy)silyl] acetate.

Molecular Properties

Compound Name[acetyloxy-methyl-(2-methylpropoxy)silyl] acetate
PubChem CID90113013
Molecular FormulaC9H18O5Si
Molecular Weight234.32 g/mol
Exact Mass234.09
IUPAC Name[acetyloxy-methyl-(2-methylpropoxy)silyl] acetate
SMILESCC(=O)O[Si](C)(OCC(C)C)OC(C)=O
InChIInChI=1S/C9H18O5Si/c1-7(2)6-12-15(5,13-8(3)10)14-9(4)11/h7H,6H2,1-5H3
InChIKeyDTEQYKUKMLHBNK-UHFFFAOYSA-N
XLogP1.35
TPSA61.83 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500234.32
LogP ≤ 51.35
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

2-methylpropyl acetate;hydrate
CID 86585368
methyl-[2-[methyl-bis(2-methylpropoxy)silyl]ethyl]-bis(2-methylpropoxy)silane
CID 59538064
acetic acid;2-methyl-1-(2-methylpropoxy)propane
CID 87879635
dichloromethane;2-methylpropyl acetate
CID 174845885
[acetyloxy-methyl-[(2-methylpropan-2-yl)oxy]silyl] acetate
CID 87569147
[1-(2-methoxypropoxy)propyl-dimethylsilyl] acetate
CID 87591425
[acetyloxy-(chloromethyl)-methylsilyl] acetate
CID 14272046
2-(2-methylpropoxy)ethyl acetate
CID 520944
3-(2-methylpropoxy)butanamide
CID 137379799
[diacetyloxy(ethoxy)silyl] acetate
CID 12025413
[[acetyloxy-di(propan-2-yl)silyl]oxy-di(propan-2-yl)silyl] acetate
CID 11984011
[acetyloxy-[8-[diacetyloxy(methyl)silyl]octyl]-methylsilyl] acetate
CID 154117413

Frequently Asked Questions

What is the IUPAC name of [acetyloxy-methyl-(2-methylpropoxy)silyl] acetate?
The IUPAC name of [acetyloxy-methyl-(2-methylpropoxy)silyl] acetate (CID 90113013) is [acetyloxy-methyl-(2-methylpropoxy)silyl] acetate.
What is the SMILES notation for [acetyloxy-methyl-(2-methylpropoxy)silyl] acetate?
The canonical SMILES for [acetyloxy-methyl-(2-methylpropoxy)silyl] acetate is CC(=O)O[Si](C)(OCC(C)C)OC(C)=O.
What is the InChIKey of [acetyloxy-methyl-(2-methylpropoxy)silyl] acetate?
The InChIKey is DTEQYKUKMLHBNK-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H18O5Si/c1-7(2)6-12-15(5,13-8(3)10)14-9(4)11/h7H,6H2,1-5H3.
What are the key properties of [acetyloxy-methyl-(2-methylpropoxy)silyl] acetate?
[acetyloxy-methyl-(2-methylpropoxy)silyl] acetate has a molecular weight of 234.32 g/mol, XLogP of 1.35, 5 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [acetyloxy-methyl-(2-methylpropoxy)silyl] acetate is sourced from PubChem (CID 90113013), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).