4-[tert-butyl(dimethyl)silyl]oxy-2,3-di(propan-2-yloxy)cyclobut-2-en-1-one

C16H30O4Si — CID 14140289

IUPAC4-[tert-butyl(dimethyl)silyl]oxy-2,3-di(propan-2-yloxy)cyclobut-2-en-1-one
SMILESCC(C)OC1=C(OC(C)C)C(O[Si](C)(C)C(C)(C)C)C1=O
InChIInChI=1S/C16H30O4Si/c1-10(2)18-13-12(17)14(15(13)19-11(3)4)20-21(8,9)16(5,6)7/h10-11,14H,1-9H3
InChIKeyYAHHXTDGFKWPNH-UHFFFAOYSA-N
MW314.50 g/mol
LogP4.02
Rot. Bonds6

About 4-[tert-butyl(dimethyl)silyl]oxy-2,3-di(propan-2-yloxy)cyclobut-2-en-1-one

4-[tert-butyl(dimethyl)silyl]oxy-2,3-di(propan-2-yloxy)cyclobut-2-en-1-one (PubChem CID 14140289) has the molecular formula C16H30O4Si and a molecular weight of 314.50 g/mol. Its IUPAC name is 4-[tert-butyl(dimethyl)silyl]oxy-2,3-di(propan-2-yloxy)cyclobut-2-en-1-one.

Molecular Properties

Compound Name4-[tert-butyl(dimethyl)silyl]oxy-2,3-di(propan-2-yloxy)cyclobut-2-en-1-one
PubChem CID14140289
Molecular FormulaC16H30O4Si
Molecular Weight314.50 g/mol
Exact Mass314.19
IUPAC Name4-[tert-butyl(dimethyl)silyl]oxy-2,3-di(propan-2-yloxy)cyclobut-2-en-1-one
SMILESCC(C)OC1=C(OC(C)C)C(O[Si](C)(C)C(C)(C)C)C1=O
InChIInChI=1S/C16H30O4Si/c1-10(2)18-13-12(17)14(15(13)19-11(3)4)20-21(8,9)16(5,6)7/h10-11,14H,1-9H3
InChIKeyYAHHXTDGFKWPNH-UHFFFAOYSA-N
XLogP4.02
TPSA44.76 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500314.50
LogP ≤ 54.02
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

(1R,5R,6S)-3-bromo-5-[tert-butyl(dimethyl)silyl]oxy-7-oxabicyclo[4.1.0]hept-3-en-2-one
CID 10543628
4-[tert-butyl(dimethyl)silyl]oxy-2,3-di(propan-2-yloxy)-1-thiophen-2-ylcyclobut-2-en-1-ol
CID 14140296
(3R,4R)-3,4-bis[[tert-butyl(dimethyl)silyl]oxy]-1-methylpyrrolidine-2,5-dione
CID 10981612
cis-(2S,4R)-2-bromo-4-[tert-butyl(dimethyl)silyl]oxycyclohexan-1-one
CID 15109329
(3S,4R)-3-[tert-butyl(dimethyl)silyl]oxy-4-phenylazetidin-2-one
CID 101383304
3-[tert-butyl(dimethyl)silyl]oxy-1-propan-2-ylpyrrolidin-2-one
CID 171088967
(4S)-4-[tert-butyl(dimethyl)silyl]oxy-1-[(1R)-1-phenylethyl]pyrrolidin-2-one
CID 10781924
(1R,4R,5R,6S)-5,6-bis[[tert-butyl(dimethyl)silyl]oxy]-7-oxabicyclo[2.2.1]heptan-2-one
CID 14331785
tert-butyl-dimethyl-[(1R,5R)-2-methyl-5-propan-2-ylcyclohex-2-en-1-yl]oxysilane
CID 134859193
3-[tert-butyl(dimethyl)silyl]oxy-2-methylcyclobutan-1-one
CID 14034886
1-[3-[tert-butyl(dimethyl)silyl]oxycyclobutyl]ethanamine
CID 71279786
(1R,5R,9S,10R,11S)-9-[tert-butyl(dimethyl)silyl]oxy-5-hydroxy-3,4-di(propan-2-yloxy)tetracyclo[9.3.0.01,5.06,10]tetradeca-3,6-dien-2-one
CID 10837776

Frequently Asked Questions

What is the IUPAC name of 4-[tert-butyl(dimethyl)silyl]oxy-2,3-di(propan-2-yloxy)cyclobut-2-en-1-one?
The IUPAC name of 4-[tert-butyl(dimethyl)silyl]oxy-2,3-di(propan-2-yloxy)cyclobut-2-en-1-one (CID 14140289) is 4-[tert-butyl(dimethyl)silyl]oxy-2,3-di(propan-2-yloxy)cyclobut-2-en-1-one.
What is the SMILES notation for 4-[tert-butyl(dimethyl)silyl]oxy-2,3-di(propan-2-yloxy)cyclobut-2-en-1-one?
The canonical SMILES for 4-[tert-butyl(dimethyl)silyl]oxy-2,3-di(propan-2-yloxy)cyclobut-2-en-1-one is CC(C)OC1=C(OC(C)C)C(O[Si](C)(C)C(C)(C)C)C1=O.
What is the InChIKey of 4-[tert-butyl(dimethyl)silyl]oxy-2,3-di(propan-2-yloxy)cyclobut-2-en-1-one?
The InChIKey is YAHHXTDGFKWPNH-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H30O4Si/c1-10(2)18-13-12(17)14(15(13)19-11(3)4)20-21(8,9)16(5,6)7/h10-11,14H,1-9H3.
What are the key properties of 4-[tert-butyl(dimethyl)silyl]oxy-2,3-di(propan-2-yloxy)cyclobut-2-en-1-one?
4-[tert-butyl(dimethyl)silyl]oxy-2,3-di(propan-2-yloxy)cyclobut-2-en-1-one has a molecular weight of 314.50 g/mol, XLogP of 4.02, 6 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[tert-butyl(dimethyl)silyl]oxy-2,3-di(propan-2-yloxy)cyclobut-2-en-1-one is sourced from PubChem (CID 14140289), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).