2-ethenyl-3-methyl-4-(2-methylprop-2-enyl)-4-trimethylsilyloxycyclobut-2-en-1-one

C14H22O2Si — CID 10753210

IUPAC2-ethenyl-3-methyl-4-(2-methylprop-2-enyl)-4-trimethylsilyloxycyclobut-2-en-1-one
SMILESC=CC1=C(C)C(CC(=C)C)(O[Si](C)(C)C)C1=O
InChIInChI=1S/C14H22O2Si/c1-8-12-11(4)14(13(12)15,9-10(2)3)16-17(5,6)7/h8H,1-2,9H2,3-7H3
InChIKeyCXIRZRGQKUSXRJ-UHFFFAOYSA-N
MW250.41 g/mol
LogP3.63
Rot. Bonds5

About 2-ethenyl-3-methyl-4-(2-methylprop-2-enyl)-4-trimethylsilyloxycyclobut-2-en-1-one

2-ethenyl-3-methyl-4-(2-methylprop-2-enyl)-4-trimethylsilyloxycyclobut-2-en-1-one (PubChem CID 10753210) has the molecular formula C14H22O2Si and a molecular weight of 250.41 g/mol. Its IUPAC name is 2-ethenyl-3-methyl-4-(2-methylprop-2-enyl)-4-trimethylsilyloxycyclobut-2-en-1-one.

Molecular Properties

Compound Name2-ethenyl-3-methyl-4-(2-methylprop-2-enyl)-4-trimethylsilyloxycyclobut-2-en-1-one
PubChem CID10753210
Molecular FormulaC14H22O2Si
Molecular Weight250.41 g/mol
Exact Mass250.14
IUPAC Name2-ethenyl-3-methyl-4-(2-methylprop-2-enyl)-4-trimethylsilyloxycyclobut-2-en-1-one
SMILESC=CC1=C(C)C(CC(=C)C)(O[Si](C)(C)C)C1=O
InChIInChI=1S/C14H22O2Si/c1-8-12-11(4)14(13(12)15,9-10(2)3)16-17(5,6)7/h8H,1-2,9H2,3-7H3
InChIKeyCXIRZRGQKUSXRJ-UHFFFAOYSA-N
XLogP3.63
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500250.41
LogP ≤ 53.63
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

2-Butyl-5-butylidene-2-trimethylsilyloxycyclopent-3-en-1-one
CID 67895853
4-[Tert-butyl(dimethyl)silyl]oxy-3-methyl-2-(2-methylprop-1-enyl)-4-prop-2-enylcyclobut-2-en-1-one
CID 10590801
2-Hex-1-ynyl-3-methyl-4-prop-2-enyl-4-trimethylsilyloxycyclobut-2-en-1-one
CID 10613493
4-[Tert-butyl(dimethyl)silyl]oxy-2-ethenyl-3-methyl-4-(2-methylprop-2-enyl)cyclobut-2-en-1-one
CID 10637423
3-But-3-enyl-2-hex-1-ynyl-4-methyl-4-trimethylsilyloxycyclobut-2-en-1-one
CID 10662327
2-Ethenyl-3-methoxy-4-(2-methylprop-2-enyl)-4-trimethylsilyloxycyclobut-2-en-1-one
CID 10683204
4-[Tert-butyl(dimethyl)silyl]oxy-2-ethenyl-3-methyl-4-prop-2-enylcyclobut-2-en-1-one
CID 10850246
1-(3-Methyl-1-trimethylsilyloxycyclohex-3-en-1-yl)ethanone
CID 101526892

Frequently Asked Questions

What is the IUPAC name of 2-ethenyl-3-methyl-4-(2-methylprop-2-enyl)-4-trimethylsilyloxycyclobut-2-en-1-one?
The IUPAC name of 2-ethenyl-3-methyl-4-(2-methylprop-2-enyl)-4-trimethylsilyloxycyclobut-2-en-1-one (CID 10753210) is 2-ethenyl-3-methyl-4-(2-methylprop-2-enyl)-4-trimethylsilyloxycyclobut-2-en-1-one.
What is the SMILES notation for 2-ethenyl-3-methyl-4-(2-methylprop-2-enyl)-4-trimethylsilyloxycyclobut-2-en-1-one?
The canonical SMILES for 2-ethenyl-3-methyl-4-(2-methylprop-2-enyl)-4-trimethylsilyloxycyclobut-2-en-1-one is C=CC1=C(C)C(CC(=C)C)(O[Si](C)(C)C)C1=O.
What is the InChIKey of 2-ethenyl-3-methyl-4-(2-methylprop-2-enyl)-4-trimethylsilyloxycyclobut-2-en-1-one?
The InChIKey is CXIRZRGQKUSXRJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H22O2Si/c1-8-12-11(4)14(13(12)15,9-10(2)3)16-17(5,6)7/h8H,1-2,9H2,3-7H3.
What are the key properties of 2-ethenyl-3-methyl-4-(2-methylprop-2-enyl)-4-trimethylsilyloxycyclobut-2-en-1-one?
2-ethenyl-3-methyl-4-(2-methylprop-2-enyl)-4-trimethylsilyloxycyclobut-2-en-1-one has a molecular weight of 250.41 g/mol, XLogP of 3.63, 5 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-ethenyl-3-methyl-4-(2-methylprop-2-enyl)-4-trimethylsilyloxycyclobut-2-en-1-one is sourced from PubChem (CID 10753210), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).