[acetyloxy-ethyl-(oxetan-3-ylmethyl)silyl] acetate

C10H18O5Si — CID 141199982

IUPAC[acetyloxy-ethyl-(oxetan-3-ylmethyl)silyl] acetate
SMILESCC[Si](CC1COC1)(OC(C)=O)OC(C)=O
InChIInChI=1S/C10H18O5Si/c1-4-16(14-8(2)11,15-9(3)12)7-10-5-13-6-10/h10H,4-7H2,1-3H3
InChIKeyQPEDLBMZHHQIQY-UHFFFAOYSA-N
MW246.33 g/mol
LogP1.22
Rot. Bonds5

About [acetyloxy-ethyl-(oxetan-3-ylmethyl)silyl] acetate

[acetyloxy-ethyl-(oxetan-3-ylmethyl)silyl] acetate (PubChem CID 141199982) has the molecular formula C10H18O5Si and a molecular weight of 246.33 g/mol. Its IUPAC name is [acetyloxy-ethyl-(oxetan-3-ylmethyl)silyl] acetate.

Molecular Properties

Compound Name[acetyloxy-ethyl-(oxetan-3-ylmethyl)silyl] acetate
PubChem CID141199982
Molecular FormulaC10H18O5Si
Molecular Weight246.33 g/mol
Exact Mass246.09
IUPAC Name[acetyloxy-ethyl-(oxetan-3-ylmethyl)silyl] acetate
SMILESCC[Si](CC1COC1)(OC(C)=O)OC(C)=O
InChIInChI=1S/C10H18O5Si/c1-4-16(14-8(2)11,15-9(3)12)7-10-5-13-6-10/h10H,4-7H2,1-3H3
InChIKeyQPEDLBMZHHQIQY-UHFFFAOYSA-N
XLogP1.22
TPSA61.83 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500246.33
LogP ≤ 51.22
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

[ethoxy-ethyl-[2-(7-oxabicyclo[4.1.0]heptan-3-yl)ethyl]silyl] acetate
CID 22292669
(oxetan-3-ylmethylamino)methyl acetate
CID 174855463
(acetyloxy-ethyl-methoxysilyl) acetate
CID 18952615
(4-hydroxyoxolan-3-yl) acetate
CID 14785283
N-ethoxy-2-(oxetan-3-yl)acetamide
CID 131222947
N-(1,3-dioxan-5-ylmethyl)acetamide
CID 67192063
[diacetyloxy(trimethylsilylmethyl)silyl]methyl acetate
CID 14174760
[acetyloxy-bis(prop-2-enyl)silyl] acetate
CID 18366415
4-[(2-acetamidoacetyl)-ethylamino]oxolane-3-carboxylic acid
CID 66245449
[acetyloxy-(chloromethyl)-methylsilyl] acetate
CID 14272046
5-ethyloxane-3-carboxylic acid
CID 155745522
ethyl-methyl-(oxetan-3-yl)-(oxetan-3-ylmethoxy)silane
CID 174984070

Frequently Asked Questions

What is the IUPAC name of [acetyloxy-ethyl-(oxetan-3-ylmethyl)silyl] acetate?
The IUPAC name of [acetyloxy-ethyl-(oxetan-3-ylmethyl)silyl] acetate (CID 141199982) is [acetyloxy-ethyl-(oxetan-3-ylmethyl)silyl] acetate.
What is the SMILES notation for [acetyloxy-ethyl-(oxetan-3-ylmethyl)silyl] acetate?
The canonical SMILES for [acetyloxy-ethyl-(oxetan-3-ylmethyl)silyl] acetate is CC[Si](CC1COC1)(OC(C)=O)OC(C)=O.
What is the InChIKey of [acetyloxy-ethyl-(oxetan-3-ylmethyl)silyl] acetate?
The InChIKey is QPEDLBMZHHQIQY-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H18O5Si/c1-4-16(14-8(2)11,15-9(3)12)7-10-5-13-6-10/h10H,4-7H2,1-3H3.
What are the key properties of [acetyloxy-ethyl-(oxetan-3-ylmethyl)silyl] acetate?
[acetyloxy-ethyl-(oxetan-3-ylmethyl)silyl] acetate has a molecular weight of 246.33 g/mol, XLogP of 1.22, 5 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [acetyloxy-ethyl-(oxetan-3-ylmethyl)silyl] acetate is sourced from PubChem (CID 141199982), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).