3-methoxy-2-(2-methylprop-1-enyl)-4-prop-2-enyl-4-trimethylsilyloxycyclobut-2-en-1-one

C15H24O3Si — CID 10826633

IUPAC3-methoxy-2-(2-methylprop-1-enyl)-4-prop-2-enyl-4-trimethylsilyloxycyclobut-2-en-1-one
SMILESC=CCC1(O[Si](C)(C)C)C(=O)C(C=C(C)C)=C1OC
InChIInChI=1S/C15H24O3Si/c1-8-9-15(18-19(5,6)7)13(16)12(10-11(2)3)14(15)17-4/h8,10H,1,9H2,2-7H3
InChIKeyRYEWFCRTGBQAJO-UHFFFAOYSA-N
MW280.44 g/mol
LogP3.60
Rot. Bonds6

About 3-methoxy-2-(2-methylprop-1-enyl)-4-prop-2-enyl-4-trimethylsilyloxycyclobut-2-en-1-one

3-methoxy-2-(2-methylprop-1-enyl)-4-prop-2-enyl-4-trimethylsilyloxycyclobut-2-en-1-one (PubChem CID 10826633) has the molecular formula C15H24O3Si and a molecular weight of 280.44 g/mol. Its IUPAC name is 3-methoxy-2-(2-methylprop-1-enyl)-4-prop-2-enyl-4-trimethylsilyloxycyclobut-2-en-1-one.

Molecular Properties

Compound Name3-methoxy-2-(2-methylprop-1-enyl)-4-prop-2-enyl-4-trimethylsilyloxycyclobut-2-en-1-one
PubChem CID10826633
Molecular FormulaC15H24O3Si
Molecular Weight280.44 g/mol
Exact Mass280.15
IUPAC Name3-methoxy-2-(2-methylprop-1-enyl)-4-prop-2-enyl-4-trimethylsilyloxycyclobut-2-en-1-one
SMILESC=CCC1(O[Si](C)(C)C)C(=O)C(C=C(C)C)=C1OC
InChIInChI=1S/C15H24O3Si/c1-8-9-15(18-19(5,6)7)13(16)12(10-11(2)3)14(15)17-4/h8,10H,1,9H2,2-7H3
InChIKeyRYEWFCRTGBQAJO-UHFFFAOYSA-N
XLogP3.60
TPSA35.53 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500280.44
LogP ≤ 53.60
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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-Ethenyl-3,4-dimethoxy-4-prop-2-enylcyclobut-2-en-1-one
CID 14593194
4-Hydroxy-3-methoxy-2-(2-methylprop-1-enyl)-4-prop-2-enylcyclobut-2-en-1-one
CID 10488577
3-Methoxy-2-propan-2-yl-4-prop-1-en-2-yl-4-trimethylsilyloxycyclobut-2-en-1-one
CID 10539881
2-Ethenyl-3-methoxy-4-prop-2-enyl-4-trimethylsilyloxycyclobut-2-en-1-one
CID 10658491
2-Ethenyl-3-methoxy-4-(2-methylprop-2-enyl)-4-trimethylsilyloxycyclobut-2-en-1-one
CID 10683204
3,4-Dimethoxy-4-prop-2-enyl-2-(2-trimethylsilylethynyl)cyclobut-2-en-1-one
CID 101614814

Frequently Asked Questions

What is the IUPAC name of 3-methoxy-2-(2-methylprop-1-enyl)-4-prop-2-enyl-4-trimethylsilyloxycyclobut-2-en-1-one?
The IUPAC name of 3-methoxy-2-(2-methylprop-1-enyl)-4-prop-2-enyl-4-trimethylsilyloxycyclobut-2-en-1-one (CID 10826633) is 3-methoxy-2-(2-methylprop-1-enyl)-4-prop-2-enyl-4-trimethylsilyloxycyclobut-2-en-1-one.
What is the SMILES notation for 3-methoxy-2-(2-methylprop-1-enyl)-4-prop-2-enyl-4-trimethylsilyloxycyclobut-2-en-1-one?
The canonical SMILES for 3-methoxy-2-(2-methylprop-1-enyl)-4-prop-2-enyl-4-trimethylsilyloxycyclobut-2-en-1-one is C=CCC1(O[Si](C)(C)C)C(=O)C(C=C(C)C)=C1OC.
What is the InChIKey of 3-methoxy-2-(2-methylprop-1-enyl)-4-prop-2-enyl-4-trimethylsilyloxycyclobut-2-en-1-one?
The InChIKey is RYEWFCRTGBQAJO-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H24O3Si/c1-8-9-15(18-19(5,6)7)13(16)12(10-11(2)3)14(15)17-4/h8,10H,1,9H2,2-7H3.
What are the key properties of 3-methoxy-2-(2-methylprop-1-enyl)-4-prop-2-enyl-4-trimethylsilyloxycyclobut-2-en-1-one?
3-methoxy-2-(2-methylprop-1-enyl)-4-prop-2-enyl-4-trimethylsilyloxycyclobut-2-en-1-one has a molecular weight of 280.44 g/mol, XLogP of 3.60, 6 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methoxy-2-(2-methylprop-1-enyl)-4-prop-2-enyl-4-trimethylsilyloxycyclobut-2-en-1-one is sourced from PubChem (CID 10826633), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).