[acetyloxy-methyl-[3-(oxiran-2-ylmethoxy)propyl]silyl] acetate

C11H20O6Si — CID 22292670

IUPAC[acetyloxy-methyl-[3-(oxiran-2-ylmethoxy)propyl]silyl] acetate
SMILESCC(=O)O[Si](C)(CCCOCC1CO1)OC(C)=O
InChIInChI=1S/C11H20O6Si/c1-9(12)16-18(3,17-10(2)13)6-4-5-14-7-11-8-15-11/h11H,4-8H2,1-3H3
InChIKeyGBNAEQPSFBMCIK-UHFFFAOYSA-N
MW276.36 g/mol
LogP0.99
Rot. Bonds8

About [acetyloxy-methyl-[3-(oxiran-2-ylmethoxy)propyl]silyl] acetate

[acetyloxy-methyl-[3-(oxiran-2-ylmethoxy)propyl]silyl] acetate (PubChem CID 22292670) has the molecular formula C11H20O6Si and a molecular weight of 276.36 g/mol. Its IUPAC name is [acetyloxy-methyl-[3-(oxiran-2-ylmethoxy)propyl]silyl] acetate.

Molecular Properties

Compound Name[acetyloxy-methyl-[3-(oxiran-2-ylmethoxy)propyl]silyl] acetate
PubChem CID22292670
Molecular FormulaC11H20O6Si
Molecular Weight276.36 g/mol
Exact Mass276.10
IUPAC Name[acetyloxy-methyl-[3-(oxiran-2-ylmethoxy)propyl]silyl] acetate
SMILESCC(=O)O[Si](C)(CCCOCC1CO1)OC(C)=O
InChIInChI=1S/C11H20O6Si/c1-9(12)16-18(3,17-10(2)13)6-4-5-14-7-11-8-15-11/h11H,4-8H2,1-3H3
InChIKeyGBNAEQPSFBMCIK-UHFFFAOYSA-N
XLogP0.99
TPSA74.36 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds8
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500276.36
LogP ≤ 50.99
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'heavy_metal', 'substructure': 'N/A'}, {'alert_name': 'Three-membered_heterocycle', 'substructure': 'N/A'}

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Related Compounds

butan-2-one;trimethoxy-[3-(oxiran-2-ylmethoxy)propyl]silane
CID 174775957
methyl-[3-[[(2R)-oxiran-2-yl]methoxy]propyl]-di(propan-2-yloxy)silane
CID 150003668
methyl-bis[(2-methylpropan-2-yl)oxy]-[3-(oxiran-2-ylmethoxy)propyl]silane
CID 139759531
3-[dimethyl-[3-(oxiran-2-ylmethoxy)propyl]silyl]oxypropoxy-dimethyl-[3-(oxiran-2-ylmethoxy)propyl]silane
CID 59202490
diethyl-methyl-[3-(oxiran-2-ylmethoxy)propyl]silane
CID 139945217
hydroxy-bis[3-(oxiran-2-ylmethoxy)propyl]-propylsilane
CID 142708425
butyl-dihydroxy-[3-(oxiran-2-ylmethoxy)propyl]silane
CID 142708399
[4-[dimethyl-[3-(oxiran-2-ylmethoxy)propyl]silyl]phenyl]-dimethyl-[3-(oxiran-2-ylmethoxy)propyl]silane
CID 14419243
3-(oxiran-2-ylmethoxy)propyl tris(prop-1-en-2-yl) silicate;trimethoxy-[3-(oxiran-2-ylmethoxy)propyl]silane
CID 88618101
dimethyl-[3-[[(2R)-oxiran-2-yl]methoxy]propyl]-trimethylsilyloxysilane
CID 99864615
tetrakis[dimethyl-[3-(oxiran-2-ylmethoxy)propyl]silyl] silicate
CID 59734838
bis[[[[[[dimethyl-[3-(oxiran-2-ylmethoxy)propyl]silyl]oxy-dimethylsilyl]oxy-dimethylsilyl]oxy-dimethylsilyl]oxy-dimethylsilyl]oxy]-dimethylsilane
CID 88854641

Frequently Asked Questions

What is the IUPAC name of [acetyloxy-methyl-[3-(oxiran-2-ylmethoxy)propyl]silyl] acetate?
The IUPAC name of [acetyloxy-methyl-[3-(oxiran-2-ylmethoxy)propyl]silyl] acetate (CID 22292670) is [acetyloxy-methyl-[3-(oxiran-2-ylmethoxy)propyl]silyl] acetate.
What is the SMILES notation for [acetyloxy-methyl-[3-(oxiran-2-ylmethoxy)propyl]silyl] acetate?
The canonical SMILES for [acetyloxy-methyl-[3-(oxiran-2-ylmethoxy)propyl]silyl] acetate is CC(=O)O[Si](C)(CCCOCC1CO1)OC(C)=O.
What is the InChIKey of [acetyloxy-methyl-[3-(oxiran-2-ylmethoxy)propyl]silyl] acetate?
The InChIKey is GBNAEQPSFBMCIK-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H20O6Si/c1-9(12)16-18(3,17-10(2)13)6-4-5-14-7-11-8-15-11/h11H,4-8H2,1-3H3.
What are the key properties of [acetyloxy-methyl-[3-(oxiran-2-ylmethoxy)propyl]silyl] acetate?
[acetyloxy-methyl-[3-(oxiran-2-ylmethoxy)propyl]silyl] acetate has a molecular weight of 276.36 g/mol, XLogP of 0.99, 8 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for [acetyloxy-methyl-[3-(oxiran-2-ylmethoxy)propyl]silyl] acetate is sourced from PubChem (CID 22292670), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).