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

C17H32O4Si — CID 14140288

IUPAC4-[tert-butyl(dimethyl)silyl]oxy-4-methyl-2,3-di(propan-2-yloxy)cyclobut-2-en-1-one
SMILESCC(C)OC1=C(OC(C)C)C(C)(O[Si](C)(C)C(C)(C)C)C1=O
InChIInChI=1S/C17H32O4Si/c1-11(2)19-13-14(18)17(8,15(13)20-12(3)4)21-22(9,10)16(5,6)7/h11-12H,1-10H3
InChIKeyZQDZENAJDYOJKC-UHFFFAOYSA-N
MW328.53 g/mol
LogP4.41
Rot. Bonds6

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

4-[tert-butyl(dimethyl)silyl]oxy-4-methyl-2,3-di(propan-2-yloxy)cyclobut-2-en-1-one (PubChem CID 14140288) has the molecular formula C17H32O4Si and a molecular weight of 328.53 g/mol. Its IUPAC name is 4-[tert-butyl(dimethyl)silyl]oxy-4-methyl-2,3-di(propan-2-yloxy)cyclobut-2-en-1-one.

Molecular Properties

Compound Name4-[tert-butyl(dimethyl)silyl]oxy-4-methyl-2,3-di(propan-2-yloxy)cyclobut-2-en-1-one
PubChem CID14140288
Molecular FormulaC17H32O4Si
Molecular Weight328.53 g/mol
Exact Mass328.21
IUPAC Name4-[tert-butyl(dimethyl)silyl]oxy-4-methyl-2,3-di(propan-2-yloxy)cyclobut-2-en-1-one
SMILESCC(C)OC1=C(OC(C)C)C(C)(O[Si](C)(C)C(C)(C)C)C1=O
InChIInChI=1S/C17H32O4Si/c1-11(2)19-13-14(18)17(8,15(13)20-12(3)4)21-22(9,10)16(5,6)7/h11-12H,1-10H3
InChIKeyZQDZENAJDYOJKC-UHFFFAOYSA-N
XLogP4.41
TPSA44.76 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500328.53
LogP ≤ 54.41
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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

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Related Compounds

4-Ethynyl-2,3-dimethoxy-4-trimethylsilyloxycyclobut-2-en-1-one
CID 85574253
2,3-Dimethoxy-4-(2-trimethylsilylethynyl)-4-trimethylsilyloxycyclobut-2-en-1-one
CID 134876569
4-Hydroxy-2,3-dimethoxy-4-(1-methoxy-3-trimethylsilylhexa-1,2-dienyl)cyclobut-2-en-1-one
CID 10592256
4-Hex-1-ynyl-2,3-dimethoxy-4-trimethylsilyloxycyclobut-2-en-1-one
CID 13460295
2,3-Dimethoxy-4-trimethylsilyloxy-4-(3-trimethylsilyloxyprop-1-ynyl)cyclobut-2-en-1-one
CID 13460297
4-[Tert-butyl(dimethyl)silyl]oxy-2,3-di(propan-2-yloxy)cyclobut-2-en-1-one
CID 14140289
4-Hexa-1,5-diynyl-2,3-dimethoxy-4-trimethylsilyloxycyclobut-2-en-1-one
CID 134876296
4-Ethenyl-2,3-di(propan-2-yloxy)-4-trimethylsilyloxycyclobut-2-en-1-one
CID 134887180
3,4-Diisopropoxy-2-trimethylsilyloxy-2-methylcyclobut-3-ene-1-one
CID 14715012
4-Hydroxy-2,3-dimethoxy-4-[1-[(2-methylpropan-2-yl)oxy]-3,3-bis(trimethylsilyl)propa-1,2-dienyl]cyclobut-2-en-1-one
CID 10668587
2,3-Dimethoxy-4-trimethylsilyloxy-4-(3-trimethylsilylprop-1-ynyl)cyclobut-2-en-1-one
CID 12179767

Frequently Asked Questions

What is the IUPAC name of 4-[tert-butyl(dimethyl)silyl]oxy-4-methyl-2,3-di(propan-2-yloxy)cyclobut-2-en-1-one?
The IUPAC name of 4-[tert-butyl(dimethyl)silyl]oxy-4-methyl-2,3-di(propan-2-yloxy)cyclobut-2-en-1-one (CID 14140288) is 4-[tert-butyl(dimethyl)silyl]oxy-4-methyl-2,3-di(propan-2-yloxy)cyclobut-2-en-1-one.
What is the SMILES notation for 4-[tert-butyl(dimethyl)silyl]oxy-4-methyl-2,3-di(propan-2-yloxy)cyclobut-2-en-1-one?
The canonical SMILES for 4-[tert-butyl(dimethyl)silyl]oxy-4-methyl-2,3-di(propan-2-yloxy)cyclobut-2-en-1-one is CC(C)OC1=C(OC(C)C)C(C)(O[Si](C)(C)C(C)(C)C)C1=O.
What is the InChIKey of 4-[tert-butyl(dimethyl)silyl]oxy-4-methyl-2,3-di(propan-2-yloxy)cyclobut-2-en-1-one?
The InChIKey is ZQDZENAJDYOJKC-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H32O4Si/c1-11(2)19-13-14(18)17(8,15(13)20-12(3)4)21-22(9,10)16(5,6)7/h11-12H,1-10H3.
What are the key properties of 4-[tert-butyl(dimethyl)silyl]oxy-4-methyl-2,3-di(propan-2-yloxy)cyclobut-2-en-1-one?
4-[tert-butyl(dimethyl)silyl]oxy-4-methyl-2,3-di(propan-2-yloxy)cyclobut-2-en-1-one has a molecular weight of 328.53 g/mol, XLogP of 4.41, 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-4-methyl-2,3-di(propan-2-yloxy)cyclobut-2-en-1-one is sourced from PubChem (CID 14140288), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).