3-[ethoxy(diphenyl)silyl]oxybutan-2-one

C18H22O3Si — CID 91736294

IUPAC3-[ethoxy(diphenyl)silyl]oxybutan-2-one
SMILESCCO[Si](OC(C)C(C)=O)(c1ccccc1)c1ccccc1
InChIInChI=1S/C18H22O3Si/c1-4-20-22(21-16(3)15(2)19,17-11-7-5-8-12-17)18-13-9-6-10-14-18/h5-14,16H,4H2,1-3H3
InChIKeyHDEAESDGQSOBTN-UHFFFAOYSA-N
MW314.46 g/mol
LogP2.27
Rot. Bonds7

About 3-[ethoxy(diphenyl)silyl]oxybutan-2-one

3-[ethoxy(diphenyl)silyl]oxybutan-2-one (PubChem CID 91736294) has the molecular formula C18H22O3Si and a molecular weight of 314.46 g/mol. Its IUPAC name is 3-[ethoxy(diphenyl)silyl]oxybutan-2-one.

Molecular Properties

Compound Name3-[ethoxy(diphenyl)silyl]oxybutan-2-one
PubChem CID91736294
Molecular FormulaC18H22O3Si
Molecular Weight314.46 g/mol
Exact Mass314.13
IUPAC Name3-[ethoxy(diphenyl)silyl]oxybutan-2-one
SMILESCCO[Si](OC(C)C(C)=O)(c1ccccc1)c1ccccc1
InChIInChI=1S/C18H22O3Si/c1-4-20-22(21-16(3)15(2)19,17-11-7-5-8-12-17)18-13-9-6-10-14-18/h5-14,16H,4H2,1-3H3
InChIKeyHDEAESDGQSOBTN-UHFFFAOYSA-N
XLogP2.27
TPSA35.53 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500314.46
LogP ≤ 52.27
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

Diphenyldiethoxysilane
CID 75705
Diphenylvinylethoxysilane
CID 87366
Diphenyl-dipropoxy-silane
CID 14324871
Dibutoxy(diphenyl)silane
CID 13637536
2-((Tert-butyldiphenylsilyl)oxy)acetaldehyde
CID 10040359
(2R)-3-[tert-butyl(diphenyl)silyl]oxy-2-methylpropanal
CID 11088707
4-[Tert-butyl(diphenyl)silyl]oxybutan-2-one
CID 11099461
Propanoic acid, 2-[[(1,1-dimethylethyl)diphenylsilyl]oxy]-, (2S)-
CID 11232725
5-[Tert-butyl(diphenyl)silyl]oxypent-1-en-3-one
CID 11724726
6-[Tert-butyl(diphenyl)silyl]oxyhexan-2-one
CID 15889737
tert-butyl-[(2R)-hept-6-en-2-yl]oxy-diphenylsilane
CID 44178593
Methyl-diphenyl-propoxysilane
CID 66773738

Frequently Asked Questions

What is the IUPAC name of 3-[ethoxy(diphenyl)silyl]oxybutan-2-one?
The IUPAC name of 3-[ethoxy(diphenyl)silyl]oxybutan-2-one (CID 91736294) is 3-[ethoxy(diphenyl)silyl]oxybutan-2-one.
What is the SMILES notation for 3-[ethoxy(diphenyl)silyl]oxybutan-2-one?
The canonical SMILES for 3-[ethoxy(diphenyl)silyl]oxybutan-2-one is CCO[Si](OC(C)C(C)=O)(c1ccccc1)c1ccccc1.
What is the InChIKey of 3-[ethoxy(diphenyl)silyl]oxybutan-2-one?
The InChIKey is HDEAESDGQSOBTN-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H22O3Si/c1-4-20-22(21-16(3)15(2)19,17-11-7-5-8-12-17)18-13-9-6-10-14-18/h5-14,16H,4H2,1-3H3.
What are the key properties of 3-[ethoxy(diphenyl)silyl]oxybutan-2-one?
3-[ethoxy(diphenyl)silyl]oxybutan-2-one has a molecular weight of 314.46 g/mol, XLogP of 2.27, 7 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[ethoxy(diphenyl)silyl]oxybutan-2-one is sourced from PubChem (CID 91736294), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).