(1S,5S)-5-ethenyl-4-methyl-3-trimethylsilyloxybicyclo[3.2.0]hept-3-en-6-one

C13H20O2Si — CID 100928712

IUPAC(1S,5S)-5-ethenyl-4-methyl-3-trimethylsilyloxybicyclo[3.2.0]hept-3-en-6-one
SMILESC=C[C@]12C(=O)C[C@@H]1CC(O[Si](C)(C)C)=C2C
InChIInChI=1S/C13H20O2Si/c1-6-13-9(2)11(15-16(3,4)5)7-10(13)8-12(13)14/h6,10H,1,7-8H2,2-5H3/t10-,13+/m0/s1
InChIKeyPAICYVGTUFNCOA-GXFFZTMASA-N
MW236.39 g/mol
LogP3.28
Rot. Bonds3

About (1S,5S)-5-ethenyl-4-methyl-3-trimethylsilyloxybicyclo[3.2.0]hept-3-en-6-one

(1S,5S)-5-ethenyl-4-methyl-3-trimethylsilyloxybicyclo[3.2.0]hept-3-en-6-one (PubChem CID 100928712) has the molecular formula C13H20O2Si and a molecular weight of 236.39 g/mol. Its IUPAC name is (1S,5S)-5-ethenyl-4-methyl-3-trimethylsilyloxybicyclo[3.2.0]hept-3-en-6-one.

Molecular Properties

Compound Name(1S,5S)-5-ethenyl-4-methyl-3-trimethylsilyloxybicyclo[3.2.0]hept-3-en-6-one
PubChem CID100928712
Molecular FormulaC13H20O2Si
Molecular Weight236.39 g/mol
Exact Mass236.12
IUPAC Name(1S,5S)-5-ethenyl-4-methyl-3-trimethylsilyloxybicyclo[3.2.0]hept-3-en-6-one
SMILESC=C[C@]12C(=O)C[C@@H]1CC(O[Si](C)(C)C)=C2C
InChIInChI=1S/C13H20O2Si/c1-6-13-9(2)11(15-16(3,4)5)7-10(13)8-12(13)14/h6,10H,1,7-8H2,2-5H3/t10-,13+/m0/s1
InChIKeyPAICYVGTUFNCOA-GXFFZTMASA-N
XLogP3.28
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500236.39
LogP ≤ 53.28
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

(1S,5S)-5-hex-1-ynyl-4-methyl-3-trimethylsilyloxybicyclo[3.2.0]hept-3-en-6-one
CID 10637285
(1S,5R)-5-ethenyl-4-methyl-3-trimethylsilyloxybicyclo[3.2.0]hept-3-en-6-one
CID 10988277
(1R,5S,7R)-3-[tert-butyl(dimethyl)silyl]oxy-5-ethenyl-1,4,7-trimethylbicyclo[3.2.0]hept-3-en-6-one
CID 10494906
(1R,5S,7R)-3-[tert-butyl(dimethyl)silyl]oxy-5-ethenyl-4,7-dimethylbicyclo[3.2.0]hept-3-en-6-one
CID 10517787
(1S,4E,5R)-5-ethenyl-4-(1-trimethylsilyloxyethylidene)bicyclo[3.2.0]heptan-6-one
CID 10610716
(1S,5S)-3-[tert-butyl(dimethyl)silyl]oxy-4-methyl-5-(2-methylprop-1-enyl)bicyclo[3.2.0]hept-3-en-6-one
CID 10733494
(1S,5R)-5-ethenyl-1,4-dimethyl-3-trimethylsilyloxybicyclo[3.2.0]hept-3-en-6-one
CID 10777102
(1S,5R)-3-[tert-butyl(dimethyl)silyl]oxy-5-ethenyl-4-methylbicyclo[3.2.0]hept-3-en-6-one
CID 10779004
(1S,5S)-4-methyl-5-(2-methylprop-1-enyl)-3-trimethylsilyloxybicyclo[3.2.0]hept-3-en-6-one
CID 11780396
(1S,5S)-5-(cyclopenten-1-yl)-4-methyl-3-trimethylsilyloxybicyclo[3.2.0]hept-3-en-6-one
CID 11780805
CID 22216392
CID 22216392
(1S)-1-ethenyl-10-ethyl-9-methyl-8-trimethylsilyloxyspiro[4.5]dec-8-en-4-one
CID 101440062

Frequently Asked Questions

What is the IUPAC name of (1S,5S)-5-ethenyl-4-methyl-3-trimethylsilyloxybicyclo[3.2.0]hept-3-en-6-one?
The IUPAC name of (1S,5S)-5-ethenyl-4-methyl-3-trimethylsilyloxybicyclo[3.2.0]hept-3-en-6-one (CID 100928712) is (1S,5S)-5-ethenyl-4-methyl-3-trimethylsilyloxybicyclo[3.2.0]hept-3-en-6-one.
What is the SMILES notation for (1S,5S)-5-ethenyl-4-methyl-3-trimethylsilyloxybicyclo[3.2.0]hept-3-en-6-one?
The canonical SMILES for (1S,5S)-5-ethenyl-4-methyl-3-trimethylsilyloxybicyclo[3.2.0]hept-3-en-6-one is C=C[C@]12C(=O)C[C@@H]1CC(O[Si](C)(C)C)=C2C.
What is the InChIKey of (1S,5S)-5-ethenyl-4-methyl-3-trimethylsilyloxybicyclo[3.2.0]hept-3-en-6-one?
The InChIKey is PAICYVGTUFNCOA-GXFFZTMASA-N. The full InChI is InChI=1S/C13H20O2Si/c1-6-13-9(2)11(15-16(3,4)5)7-10(13)8-12(13)14/h6,10H,1,7-8H2,2-5H3/t10-,13+/m0/s1.
What are the key properties of (1S,5S)-5-ethenyl-4-methyl-3-trimethylsilyloxybicyclo[3.2.0]hept-3-en-6-one?
(1S,5S)-5-ethenyl-4-methyl-3-trimethylsilyloxybicyclo[3.2.0]hept-3-en-6-one has a molecular weight of 236.39 g/mol, XLogP of 3.28, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (1S,5S)-5-ethenyl-4-methyl-3-trimethylsilyloxybicyclo[3.2.0]hept-3-en-6-one is sourced from PubChem (CID 100928712), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).