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

C15H24O2Si — CID 10706768

IUPAC3-but-3-enyl-2-(2-methylprop-1-enyl)-4-trimethylsilyloxycyclobut-2-en-1-one
SMILESC=CCCC1=C(C=C(C)C)C(=O)C1O[Si](C)(C)C
InChIInChI=1S/C15H24O2Si/c1-7-8-9-12-13(10-11(2)3)14(16)15(12)17-18(4,5)6/h7,10,15H,1,8-9H2,2-6H3
InChIKeyJJJPVFZVYOTTNN-UHFFFAOYSA-N
MW264.44 g/mol
LogP4.02
Rot. Bonds6

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

3-but-3-enyl-2-(2-methylprop-1-enyl)-4-trimethylsilyloxycyclobut-2-en-1-one (PubChem CID 10706768) has the molecular formula C15H24O2Si and a molecular weight of 264.44 g/mol. Its IUPAC name is 3-but-3-enyl-2-(2-methylprop-1-enyl)-4-trimethylsilyloxycyclobut-2-en-1-one.

Molecular Properties

Compound Name3-but-3-enyl-2-(2-methylprop-1-enyl)-4-trimethylsilyloxycyclobut-2-en-1-one
PubChem CID10706768
Molecular FormulaC15H24O2Si
Molecular Weight264.44 g/mol
Exact Mass264.15
IUPAC Name3-but-3-enyl-2-(2-methylprop-1-enyl)-4-trimethylsilyloxycyclobut-2-en-1-one
SMILESC=CCCC1=C(C=C(C)C)C(=O)C1O[Si](C)(C)C
InChIInChI=1S/C15H24O2Si/c1-7-8-9-12-13(10-11(2)3)14(16)15(12)17-18(4,5)6/h7,10,15H,1,8-9H2,2-6H3
InChIKeyJJJPVFZVYOTTNN-UHFFFAOYSA-N
XLogP4.02
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500264.44
LogP ≤ 54.02
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

1-Triethylsilyloxy-1,2-dihydroinden-4-one
CID 141032948
4-methoxy-2-(2-methylprop-1-enyl)-3-[(E)-pent-3-enyl]cyclobut-2-en-1-one
CID 10489124
4-methoxy-2-(2-methylprop-1-enyl)-3-[(Z)-pent-3-enyl]cyclobut-2-en-1-one
CID 10585018
3-But-3-enyl-4-methoxy-2-(2-methylprop-1-enyl)cyclobut-2-en-1-one
CID 10798326
6-[Tert-butyl(dimethyl)silyl]oxy-3-methylcyclohex-2-en-1-one
CID 13819966
(6R)-6-[tert-butyl(dimethyl)silyl]oxy-3-methylcyclohex-2-en-1-one
CID 177437552
(6S)-6-[tert-butyl(dimethyl)silyl]oxy-3-methylcyclohex-2-en-1-one
CID 177488078
(2Z,8Z,10E)-7-[tert-butyl(dimethyl)silyl]oxy-3,11-dimethylcyclotetradeca-2,8,10-trien-1-one
CID 177620930

Frequently Asked Questions

What is the IUPAC name of 3-but-3-enyl-2-(2-methylprop-1-enyl)-4-trimethylsilyloxycyclobut-2-en-1-one?
The IUPAC name of 3-but-3-enyl-2-(2-methylprop-1-enyl)-4-trimethylsilyloxycyclobut-2-en-1-one (CID 10706768) is 3-but-3-enyl-2-(2-methylprop-1-enyl)-4-trimethylsilyloxycyclobut-2-en-1-one.
What is the SMILES notation for 3-but-3-enyl-2-(2-methylprop-1-enyl)-4-trimethylsilyloxycyclobut-2-en-1-one?
The canonical SMILES for 3-but-3-enyl-2-(2-methylprop-1-enyl)-4-trimethylsilyloxycyclobut-2-en-1-one is C=CCCC1=C(C=C(C)C)C(=O)C1O[Si](C)(C)C.
What is the InChIKey of 3-but-3-enyl-2-(2-methylprop-1-enyl)-4-trimethylsilyloxycyclobut-2-en-1-one?
The InChIKey is JJJPVFZVYOTTNN-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H24O2Si/c1-7-8-9-12-13(10-11(2)3)14(16)15(12)17-18(4,5)6/h7,10,15H,1,8-9H2,2-6H3.
What are the key properties of 3-but-3-enyl-2-(2-methylprop-1-enyl)-4-trimethylsilyloxycyclobut-2-en-1-one?
3-but-3-enyl-2-(2-methylprop-1-enyl)-4-trimethylsilyloxycyclobut-2-en-1-one has a molecular weight of 264.44 g/mol, XLogP of 4.02, 6 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-but-3-enyl-2-(2-methylprop-1-enyl)-4-trimethylsilyloxycyclobut-2-en-1-one is sourced from PubChem (CID 10706768), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).