4-[tert-butyl(dimethyl)silyl]oxy-3-methyl-2-(2-methylprop-1-enyl)-4-prop-2-enylcyclobut-2-en-1-one

C18H30O2Si — CID 10590801

IUPAC4-[tert-butyl(dimethyl)silyl]oxy-3-methyl-2-(2-methylprop-1-enyl)-4-prop-2-enylcyclobut-2-en-1-one
SMILESC=CCC1(O[Si](C)(C)C(C)(C)C)C(=O)C(C=C(C)C)=C1C
InChIInChI=1S/C18H30O2Si/c1-10-11-18(20-21(8,9)17(5,6)7)14(4)15(16(18)19)12-13(2)3/h10,12H,1,11H2,2-9H3
InChIKeyMECMUJQMNGIYMC-UHFFFAOYSA-N
MW306.52 g/mol
LogP5.19
Rot. Bonds5

About 4-[tert-butyl(dimethyl)silyl]oxy-3-methyl-2-(2-methylprop-1-enyl)-4-prop-2-enylcyclobut-2-en-1-one

4-[tert-butyl(dimethyl)silyl]oxy-3-methyl-2-(2-methylprop-1-enyl)-4-prop-2-enylcyclobut-2-en-1-one (PubChem CID 10590801) has the molecular formula C18H30O2Si and a molecular weight of 306.52 g/mol. Its IUPAC name is 4-[tert-butyl(dimethyl)silyl]oxy-3-methyl-2-(2-methylprop-1-enyl)-4-prop-2-enylcyclobut-2-en-1-one.

Molecular Properties

Compound Name4-[tert-butyl(dimethyl)silyl]oxy-3-methyl-2-(2-methylprop-1-enyl)-4-prop-2-enylcyclobut-2-en-1-one
PubChem CID10590801
Molecular FormulaC18H30O2Si
Molecular Weight306.52 g/mol
Exact Mass306.20
IUPAC Name4-[tert-butyl(dimethyl)silyl]oxy-3-methyl-2-(2-methylprop-1-enyl)-4-prop-2-enylcyclobut-2-en-1-one
SMILESC=CCC1(O[Si](C)(C)C(C)(C)C)C(=O)C(C=C(C)C)=C1C
InChIInChI=1S/C18H30O2Si/c1-10-11-18(20-21(8,9)17(5,6)7)14(4)15(16(18)19)12-13(2)3/h10,12H,1,11H2,2-9H3
InChIKeyMECMUJQMNGIYMC-UHFFFAOYSA-N
XLogP5.19
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500306.52
LogP ≤ 55.19
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-Ethyl-6-tributylsilyloxy-6-(trifluoromethyl)cyclohexa-2,4-dien-1-one
CID 20061956
5-Tert-butyl-6-triethylsilyloxy-6-(trifluoromethyl)cyclohexa-2,4-dien-1-one
CID 23130082
2-Butyl-5-butylidene-2-trimethylsilyloxycyclopent-3-en-1-one
CID 67895853
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
2-Ethenyl-3-methyl-4-(2-methylprop-2-enyl)-4-trimethylsilyloxycyclobut-2-en-1-one
CID 10753210
4-[Tert-butyl(dimethyl)silyl]oxy-2-ethenyl-3-methyl-4-prop-2-enylcyclobut-2-en-1-one
CID 10850246

Frequently Asked Questions

What is the IUPAC name of 4-[tert-butyl(dimethyl)silyl]oxy-3-methyl-2-(2-methylprop-1-enyl)-4-prop-2-enylcyclobut-2-en-1-one?
The IUPAC name of 4-[tert-butyl(dimethyl)silyl]oxy-3-methyl-2-(2-methylprop-1-enyl)-4-prop-2-enylcyclobut-2-en-1-one (CID 10590801) is 4-[tert-butyl(dimethyl)silyl]oxy-3-methyl-2-(2-methylprop-1-enyl)-4-prop-2-enylcyclobut-2-en-1-one.
What is the SMILES notation for 4-[tert-butyl(dimethyl)silyl]oxy-3-methyl-2-(2-methylprop-1-enyl)-4-prop-2-enylcyclobut-2-en-1-one?
The canonical SMILES for 4-[tert-butyl(dimethyl)silyl]oxy-3-methyl-2-(2-methylprop-1-enyl)-4-prop-2-enylcyclobut-2-en-1-one is C=CCC1(O[Si](C)(C)C(C)(C)C)C(=O)C(C=C(C)C)=C1C.
What is the InChIKey of 4-[tert-butyl(dimethyl)silyl]oxy-3-methyl-2-(2-methylprop-1-enyl)-4-prop-2-enylcyclobut-2-en-1-one?
The InChIKey is MECMUJQMNGIYMC-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H30O2Si/c1-10-11-18(20-21(8,9)17(5,6)7)14(4)15(16(18)19)12-13(2)3/h10,12H,1,11H2,2-9H3.
What are the key properties of 4-[tert-butyl(dimethyl)silyl]oxy-3-methyl-2-(2-methylprop-1-enyl)-4-prop-2-enylcyclobut-2-en-1-one?
4-[tert-butyl(dimethyl)silyl]oxy-3-methyl-2-(2-methylprop-1-enyl)-4-prop-2-enylcyclobut-2-en-1-one has a molecular weight of 306.52 g/mol, XLogP of 5.19, 5 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[tert-butyl(dimethyl)silyl]oxy-3-methyl-2-(2-methylprop-1-enyl)-4-prop-2-enylcyclobut-2-en-1-one is sourced from PubChem (CID 10590801), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).