1-(oxatrisilinan-4-ylsilyl)ethyl acetate

C6H18O3Si4 — CID 173095811

IUPAC1-(oxatrisilinan-4-ylsilyl)ethyl acetate
SMILESCC(=O)OC(C)[SiH2][SiH]1CCO[SiH2][SiH2]1
InChIInChI=1S/C6H18O3Si4/c1-5(7)9-6(2)10-13-4-3-8-11-12-13/h6,13H,3-4,10-12H2,1-2H3
InChIKeyORLGDALQULYCIT-UHFFFAOYSA-N
MW250.55 g/mol
LogP-2.52
Rot. Bonds3

About 1-(oxatrisilinan-4-ylsilyl)ethyl acetate

1-(oxatrisilinan-4-ylsilyl)ethyl acetate (PubChem CID 173095811) has the molecular formula C6H18O3Si4 and a molecular weight of 250.55 g/mol. Its IUPAC name is 1-(oxatrisilinan-4-ylsilyl)ethyl acetate.

Molecular Properties

Compound Name1-(oxatrisilinan-4-ylsilyl)ethyl acetate
PubChem CID173095811
Molecular FormulaC6H18O3Si4
Molecular Weight250.55 g/mol
Exact Mass250.03
IUPAC Name1-(oxatrisilinan-4-ylsilyl)ethyl acetate
SMILESCC(=O)OC(C)[SiH2][SiH]1CCO[SiH2][SiH2]1
InChIInChI=1S/C6H18O3Si4/c1-5(7)9-6(2)10-13-4-3-8-11-12-13/h6,13H,3-4,10-12H2,1-2H3
InChIKeyORLGDALQULYCIT-UHFFFAOYSA-N
XLogP-2.52
TPSA35.53 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500250.55
LogP ≤ 5-2.52
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

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propan-2-yl acetate;hydrochloride
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N-methoxymethanamine;propan-2-yl acetate
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(2S)-2-acetyloxypropanoic acid
CID 6326324
[(2S,3S,4S,5R)-3,4,5-triacetyloxyhexan-2-yl] acetate
CID 92643864
[(E,2R,5R)-5-acetyloxyhex-3-en-2-yl] acetate
CID 166437845
propane;propan-2-yl acetate
CID 23325886
diacetoxyethylsilane
CID 57248642
1-cyclopentyloxyethyl acetate
CID 58944284
[(1S)-1-[(2S)-oxan-2-yl]prop-2-ynyl] acetate
CID 10797506
1-[4,6-bis(trifluoromethyl)-1,3,5-triazin-2-yl]ethyl acetate
CID 154188034

Frequently Asked Questions

What is the IUPAC name of 1-(oxatrisilinan-4-ylsilyl)ethyl acetate?
The IUPAC name of 1-(oxatrisilinan-4-ylsilyl)ethyl acetate (CID 173095811) is 1-(oxatrisilinan-4-ylsilyl)ethyl acetate.
What is the SMILES notation for 1-(oxatrisilinan-4-ylsilyl)ethyl acetate?
The canonical SMILES for 1-(oxatrisilinan-4-ylsilyl)ethyl acetate is CC(=O)OC(C)[SiH2][SiH]1CCO[SiH2][SiH2]1.
What is the InChIKey of 1-(oxatrisilinan-4-ylsilyl)ethyl acetate?
The InChIKey is ORLGDALQULYCIT-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H18O3Si4/c1-5(7)9-6(2)10-13-4-3-8-11-12-13/h6,13H,3-4,10-12H2,1-2H3.
What are the key properties of 1-(oxatrisilinan-4-ylsilyl)ethyl acetate?
1-(oxatrisilinan-4-ylsilyl)ethyl acetate has a molecular weight of 250.55 g/mol, XLogP of -2.52, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(oxatrisilinan-4-ylsilyl)ethyl acetate is sourced from PubChem (CID 173095811), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).