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

C14H22O3Si — CID 10683204

IUPAC2-ethenyl-3-methoxy-4-(2-methylprop-2-enyl)-4-trimethylsilyloxycyclobut-2-en-1-one
SMILESC=CC1=C(OC)C(CC(=C)C)(O[Si](C)(C)C)C1=O
InChIInChI=1S/C14H22O3Si/c1-8-11-12(15)14(9-10(2)3,13(11)16-4)17-18(5,6)7/h8H,1-2,9H2,3-7H3
InChIKeyQJRFBXIIPZLQME-UHFFFAOYSA-N
MW266.41 g/mol
LogP3.21
Rot. Bonds6

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

2-ethenyl-3-methoxy-4-(2-methylprop-2-enyl)-4-trimethylsilyloxycyclobut-2-en-1-one (PubChem CID 10683204) has the molecular formula C14H22O3Si and a molecular weight of 266.41 g/mol. Its IUPAC name is 2-ethenyl-3-methoxy-4-(2-methylprop-2-enyl)-4-trimethylsilyloxycyclobut-2-en-1-one.

Molecular Properties

Compound Name2-ethenyl-3-methoxy-4-(2-methylprop-2-enyl)-4-trimethylsilyloxycyclobut-2-en-1-one
PubChem CID10683204
Molecular FormulaC14H22O3Si
Molecular Weight266.41 g/mol
Exact Mass266.13
IUPAC Name2-ethenyl-3-methoxy-4-(2-methylprop-2-enyl)-4-trimethylsilyloxycyclobut-2-en-1-one
SMILESC=CC1=C(OC)C(CC(=C)C)(O[Si](C)(C)C)C1=O
InChIInChI=1S/C14H22O3Si/c1-8-11-12(15)14(9-10(2)3,13(11)16-4)17-18(5,6)7/h8H,1-2,9H2,3-7H3
InChIKeyQJRFBXIIPZLQME-UHFFFAOYSA-N
XLogP3.21
TPSA35.53 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500266.41
LogP ≤ 53.21
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

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-methyl-4-(2-methylprop-2-enyl)-4-trimethylsilyloxycyclobut-2-en-1-one
CID 10753210
3-Methoxy-2-(2-methylprop-1-enyl)-4-prop-2-enyl-4-trimethylsilyloxycyclobut-2-en-1-one
CID 10826633

Frequently Asked Questions

What is the IUPAC name of 2-ethenyl-3-methoxy-4-(2-methylprop-2-enyl)-4-trimethylsilyloxycyclobut-2-en-1-one?
The IUPAC name of 2-ethenyl-3-methoxy-4-(2-methylprop-2-enyl)-4-trimethylsilyloxycyclobut-2-en-1-one (CID 10683204) is 2-ethenyl-3-methoxy-4-(2-methylprop-2-enyl)-4-trimethylsilyloxycyclobut-2-en-1-one.
What is the SMILES notation for 2-ethenyl-3-methoxy-4-(2-methylprop-2-enyl)-4-trimethylsilyloxycyclobut-2-en-1-one?
The canonical SMILES for 2-ethenyl-3-methoxy-4-(2-methylprop-2-enyl)-4-trimethylsilyloxycyclobut-2-en-1-one is C=CC1=C(OC)C(CC(=C)C)(O[Si](C)(C)C)C1=O.
What is the InChIKey of 2-ethenyl-3-methoxy-4-(2-methylprop-2-enyl)-4-trimethylsilyloxycyclobut-2-en-1-one?
The InChIKey is QJRFBXIIPZLQME-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H22O3Si/c1-8-11-12(15)14(9-10(2)3,13(11)16-4)17-18(5,6)7/h8H,1-2,9H2,3-7H3.
What are the key properties of 2-ethenyl-3-methoxy-4-(2-methylprop-2-enyl)-4-trimethylsilyloxycyclobut-2-en-1-one?
2-ethenyl-3-methoxy-4-(2-methylprop-2-enyl)-4-trimethylsilyloxycyclobut-2-en-1-one has a molecular weight of 266.41 g/mol, XLogP of 3.21, 6 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-ethenyl-3-methoxy-4-(2-methylprop-2-enyl)-4-trimethylsilyloxycyclobut-2-en-1-one is sourced from PubChem (CID 10683204), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).