(1-acetyloxy-2-ethylsilyloxyethyl) acetate

C8H16O5Si — CID 172806148

IUPAC(1-acetyloxy-2-ethylsilyloxyethyl) acetate
SMILESCC[SiH2]OCC(OC(C)=O)OC(C)=O
InChIInChI=1S/C8H16O5Si/c1-4-14-11-5-8(12-6(2)9)13-7(3)10/h8H,4-5,14H2,1-3H3
InChIKeyRNQXMWNYKVHEFE-UHFFFAOYSA-N
MW220.30 g/mol
LogP-0.02
Rot. Bonds6

About (1-acetyloxy-2-ethylsilyloxyethyl) acetate

(1-acetyloxy-2-ethylsilyloxyethyl) acetate (PubChem CID 172806148) has the molecular formula C8H16O5Si and a molecular weight of 220.30 g/mol. Its IUPAC name is (1-acetyloxy-2-ethylsilyloxyethyl) acetate.

Molecular Properties

Compound Name(1-acetyloxy-2-ethylsilyloxyethyl) acetate
PubChem CID172806148
Molecular FormulaC8H16O5Si
Molecular Weight220.30 g/mol
Exact Mass220.08
IUPAC Name(1-acetyloxy-2-ethylsilyloxyethyl) acetate
SMILESCC[SiH2]OCC(OC(C)=O)OC(C)=O
InChIInChI=1S/C8H16O5Si/c1-4-14-11-5-8(12-6(2)9)13-7(3)10/h8H,4-5,14H2,1-3H3
InChIKeyRNQXMWNYKVHEFE-UHFFFAOYSA-N
XLogP-0.02
TPSA61.83 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500220.30
LogP ≤ 5-0.02
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'heavy_metal', 'substructure': 'N/A'}, {'alert_name': 'het-C-het_not_in_ring', 'substructure': 'N/A'}

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Related Compounds

[(2R,6R)-6-acetyloxyheptan-2-yl] acetate
CID 100950858
hexan-2-yl acetate;methane
CID 159910641
[1-acetyloxy-2-(2-oxoethoxy)ethyl] acetate
CID 10774528
diacetoxyethylsilane
CID 57248642
propane;propan-2-yl acetate
CID 23325886
pentacosan-2-yl acetate
CID 173416941
azane;pentan-2-yl acetate
CID 174372937
1-acetyloxypropyl propanoate
CID 141272286
1-silylpropyl acetate
CID 173180610
1-hydroxypropyl acetate
CID 21275092
1-acetyloxytetradecyl acetate
CID 88785738
(1-ethylsulfanyl-2-oxopropyl) acetate
CID 131862617

Frequently Asked Questions

What is the IUPAC name of (1-acetyloxy-2-ethylsilyloxyethyl) acetate?
The IUPAC name of (1-acetyloxy-2-ethylsilyloxyethyl) acetate (CID 172806148) is (1-acetyloxy-2-ethylsilyloxyethyl) acetate.
What is the SMILES notation for (1-acetyloxy-2-ethylsilyloxyethyl) acetate?
The canonical SMILES for (1-acetyloxy-2-ethylsilyloxyethyl) acetate is CC[SiH2]OCC(OC(C)=O)OC(C)=O.
What is the InChIKey of (1-acetyloxy-2-ethylsilyloxyethyl) acetate?
The InChIKey is RNQXMWNYKVHEFE-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H16O5Si/c1-4-14-11-5-8(12-6(2)9)13-7(3)10/h8H,4-5,14H2,1-3H3.
What are the key properties of (1-acetyloxy-2-ethylsilyloxyethyl) acetate?
(1-acetyloxy-2-ethylsilyloxyethyl) acetate has a molecular weight of 220.30 g/mol, XLogP of -0.02, 6 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (1-acetyloxy-2-ethylsilyloxyethyl) acetate is sourced from PubChem (CID 172806148), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).