4-methyl-2,3-di(propan-2-yloxy)-4-trimethylsilyloxycyclobut-2-en-1-one

C14H26O4Si — CID 14715012

IUPAC4-methyl-2,3-di(propan-2-yloxy)-4-trimethylsilyloxycyclobut-2-en-1-one
SMILESCC(C)OC1=C(OC(C)C)C(C)(O[Si](C)(C)C)C1=O
InChIInChI=1S/C14H26O4Si/c1-9(2)16-11-12(15)14(5,18-19(6,7)8)13(11)17-10(3)4/h9-10H,1-8H3
InChIKeyHPOHJAHWKGVEPM-UHFFFAOYSA-N
MW286.44 g/mol
LogP3.24
Rot. Bonds6

About 4-methyl-2,3-di(propan-2-yloxy)-4-trimethylsilyloxycyclobut-2-en-1-one

4-methyl-2,3-di(propan-2-yloxy)-4-trimethylsilyloxycyclobut-2-en-1-one (PubChem CID 14715012) has the molecular formula C14H26O4Si and a molecular weight of 286.44 g/mol. Its IUPAC name is 4-methyl-2,3-di(propan-2-yloxy)-4-trimethylsilyloxycyclobut-2-en-1-one.

Molecular Properties

Compound Name4-methyl-2,3-di(propan-2-yloxy)-4-trimethylsilyloxycyclobut-2-en-1-one
PubChem CID14715012
Molecular FormulaC14H26O4Si
Molecular Weight286.44 g/mol
Exact Mass286.16
IUPAC Name4-methyl-2,3-di(propan-2-yloxy)-4-trimethylsilyloxycyclobut-2-en-1-one
SMILESCC(C)OC1=C(OC(C)C)C(C)(O[Si](C)(C)C)C1=O
InChIInChI=1S/C14H26O4Si/c1-9(2)16-11-12(15)14(5,18-19(6,7)8)13(11)17-10(3)4/h9-10H,1-8H3
InChIKeyHPOHJAHWKGVEPM-UHFFFAOYSA-N
XLogP3.24
TPSA44.76 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500286.44
LogP ≤ 53.24
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 4-methyl-2,3-di(propan-2-yloxy)-4-trimethylsilyloxycyclobut-2-en-1-one?
The IUPAC name of 4-methyl-2,3-di(propan-2-yloxy)-4-trimethylsilyloxycyclobut-2-en-1-one (CID 14715012) is 4-methyl-2,3-di(propan-2-yloxy)-4-trimethylsilyloxycyclobut-2-en-1-one.
What is the SMILES notation for 4-methyl-2,3-di(propan-2-yloxy)-4-trimethylsilyloxycyclobut-2-en-1-one?
The canonical SMILES for 4-methyl-2,3-di(propan-2-yloxy)-4-trimethylsilyloxycyclobut-2-en-1-one is CC(C)OC1=C(OC(C)C)C(C)(O[Si](C)(C)C)C1=O.
What is the InChIKey of 4-methyl-2,3-di(propan-2-yloxy)-4-trimethylsilyloxycyclobut-2-en-1-one?
The InChIKey is HPOHJAHWKGVEPM-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H26O4Si/c1-9(2)16-11-12(15)14(5,18-19(6,7)8)13(11)17-10(3)4/h9-10H,1-8H3.
What are the key properties of 4-methyl-2,3-di(propan-2-yloxy)-4-trimethylsilyloxycyclobut-2-en-1-one?
4-methyl-2,3-di(propan-2-yloxy)-4-trimethylsilyloxycyclobut-2-en-1-one has a molecular weight of 286.44 g/mol, XLogP of 3.24, 6 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methyl-2,3-di(propan-2-yloxy)-4-trimethylsilyloxycyclobut-2-en-1-one is sourced from PubChem (CID 14715012), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).