2-acetyloxyethyl acetate;silyl acetate

C8H16O6Si — CID 173024816

IUPAC2-acetyloxyethyl acetate;silyl acetate
SMILESCC(=O)OCCOC(C)=O.CC(=O)O[SiH3]
InChIInChI=1S/C6H10O4.C2H6O2Si/c1-5(7)9-3-4-10-6(2)8;1-2(3)4-5/h3-4H2,1-2H3;1,5H3
InChIKeyILZSTYFSLWYIQU-UHFFFAOYSA-N
MW236.30 g/mol
LogP-1.06
Rot. Bonds3

About 2-acetyloxyethyl acetate;silyl acetate

2-acetyloxyethyl acetate;silyl acetate (PubChem CID 173024816) has the molecular formula C8H16O6Si and a molecular weight of 236.30 g/mol. Its IUPAC name is 2-acetyloxyethyl acetate;silyl acetate.

Molecular Properties

Compound Name2-acetyloxyethyl acetate;silyl acetate
PubChem CID173024816
Molecular FormulaC8H16O6Si
Molecular Weight236.30 g/mol
Exact Mass236.07
IUPAC Name2-acetyloxyethyl acetate;silyl acetate
SMILESCC(=O)OCCOC(C)=O.CC(=O)O[SiH3]
InChIInChI=1S/C6H10O4.C2H6O2Si/c1-5(7)9-3-4-10-6(2)8;1-2(3)4-5/h3-4H2,1-2H3;1,5H3
InChIKeyILZSTYFSLWYIQU-UHFFFAOYSA-N
XLogP-1.06
TPSA78.90 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500236.30
LogP ≤ 5-1.06
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'}

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Related Compounds

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CID 158105337
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CID 158128480
2-acetyloxyethyl acetate;buta-1,3-diene
CID 87510767
2-acetyloxyethyl acetate;hexane
CID 137406148
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CID 87784419
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CID 69413766
propyl acetate;hydrate
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CID 160750759
2-[2-[2-[2-[2-[2-[2-(2-hydroxyethoxy)ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethyl acetate
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2-hydroxyethyl acetate;2-methoxyethyl acetate
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Frequently Asked Questions

What is the IUPAC name of 2-acetyloxyethyl acetate;silyl acetate?
The IUPAC name of 2-acetyloxyethyl acetate;silyl acetate (CID 173024816) is 2-acetyloxyethyl acetate;silyl acetate.
What is the SMILES notation for 2-acetyloxyethyl acetate;silyl acetate?
The canonical SMILES for 2-acetyloxyethyl acetate;silyl acetate is CC(=O)OCCOC(C)=O.CC(=O)O[SiH3].
What is the InChIKey of 2-acetyloxyethyl acetate;silyl acetate?
The InChIKey is ILZSTYFSLWYIQU-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H10O4.C2H6O2Si/c1-5(7)9-3-4-10-6(2)8;1-2(3)4-5/h3-4H2,1-2H3;1,5H3.
What are the key properties of 2-acetyloxyethyl acetate;silyl acetate?
2-acetyloxyethyl acetate;silyl acetate has a molecular weight of 236.30 g/mol, XLogP of -1.06, 3 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-acetyloxyethyl acetate;silyl acetate is sourced from PubChem (CID 173024816), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).