(1S)-1-[2-[tert-butyl(dimethyl)silyl]oxyethyl]-4-methylbicyclo[3.2.0]hept-3-en-2-one

C16H28O2Si — CID 134832299

IUPAC(1S)-1-[2-[tert-butyl(dimethyl)silyl]oxyethyl]-4-methylbicyclo[3.2.0]hept-3-en-2-one
SMILESCC1=CC(=O)[C@]2(CCO[Si](C)(C)C(C)(C)C)CCC12
InChIInChI=1S/C16H28O2Si/c1-12-11-14(17)16(8-7-13(12)16)9-10-18-19(5,6)15(2,3)4/h11,13H,7-10H2,1-6H3/t13?,16-/m0/s1
InChIKeyHKGUEHJHTQISOD-VYIIXAMBSA-N
MW280.48 g/mol
LogP4.32
Rot. Bonds4

About (1S)-1-[2-[tert-butyl(dimethyl)silyl]oxyethyl]-4-methylbicyclo[3.2.0]hept-3-en-2-one

(1S)-1-[2-[tert-butyl(dimethyl)silyl]oxyethyl]-4-methylbicyclo[3.2.0]hept-3-en-2-one (PubChem CID 134832299) has the molecular formula C16H28O2Si and a molecular weight of 280.48 g/mol. Its IUPAC name is (1S)-1-[2-[tert-butyl(dimethyl)silyl]oxyethyl]-4-methylbicyclo[3.2.0]hept-3-en-2-one.

Molecular Properties

Compound Name(1S)-1-[2-[tert-butyl(dimethyl)silyl]oxyethyl]-4-methylbicyclo[3.2.0]hept-3-en-2-one
PubChem CID134832299
Molecular FormulaC16H28O2Si
Molecular Weight280.48 g/mol
Exact Mass280.19
IUPAC Name(1S)-1-[2-[tert-butyl(dimethyl)silyl]oxyethyl]-4-methylbicyclo[3.2.0]hept-3-en-2-one
SMILESCC1=CC(=O)[C@]2(CCO[Si](C)(C)C(C)(C)C)CCC12
InChIInChI=1S/C16H28O2Si/c1-12-11-14(17)16(8-7-13(12)16)9-10-18-19(5,6)15(2,3)4/h11,13H,7-10H2,1-6H3/t13?,16-/m0/s1
InChIKeyHKGUEHJHTQISOD-VYIIXAMBSA-N
XLogP4.32
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500280.48
LogP ≤ 54.32
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'heavy_metal', 'substructure': 'N/A'}

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Related Compounds

(1S,5R)-1-[[tert-butyl(dimethyl)silyl]oxymethyl]-8-methyl-4-propan-2-ylspiro[4.5]deca-3,8-dien-10-one
CID 127041220
3-[(1R,2R)-2-[tert-butyl(dimethyl)silyl]oxy-1-methylcyclobutyl]cyclohex-2-en-1-one
CID 11022792
3-[4-[Tert-butyl(dimethyl)silyl]oxy-2-ethylbutyl]cyclopent-2-en-1-one
CID 49793347
1-[2-[Tert-butyl(dimethyl)silyl]oxyethyl]-3-methylbicyclo[2.2.1]hept-2-en-7-one
CID 75628889
(5R,7aR)-7a-[[tert-butyl(dimethyl)silyl]oxymethyl]-6-methyl-3-trimethylsilyl-5-(2-trimethylsilyloxypropan-2-yl)-4,5-dihydro-1H-inden-2-one
CID 162404896
(6S)-6-[(2S)-1-[2,3-dimethylbutan-2-yl(dimethyl)silyl]oxypropan-2-yl]-3-methylcyclohex-2-en-1-one
CID 10979836
5-[5-[Tert-butyl(dimethyl)silyl]oxypentyl]-5-methylcyclopent-2-en-1-one
CID 10494187
(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
4-[5-[Tert-butyl(dimethyl)silyl]oxypentyl]-3,4-dimethylcyclopent-2-en-1-one
CID 10566966
(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)-3-[tert-butyl(dimethyl)silyl]oxy-5-ethenyl-4-methylbicyclo[3.2.0]hept-3-en-6-one
CID 10779004

Frequently Asked Questions

What is the IUPAC name of (1S)-1-[2-[tert-butyl(dimethyl)silyl]oxyethyl]-4-methylbicyclo[3.2.0]hept-3-en-2-one?
The IUPAC name of (1S)-1-[2-[tert-butyl(dimethyl)silyl]oxyethyl]-4-methylbicyclo[3.2.0]hept-3-en-2-one (CID 134832299) is (1S)-1-[2-[tert-butyl(dimethyl)silyl]oxyethyl]-4-methylbicyclo[3.2.0]hept-3-en-2-one.
What is the SMILES notation for (1S)-1-[2-[tert-butyl(dimethyl)silyl]oxyethyl]-4-methylbicyclo[3.2.0]hept-3-en-2-one?
The canonical SMILES for (1S)-1-[2-[tert-butyl(dimethyl)silyl]oxyethyl]-4-methylbicyclo[3.2.0]hept-3-en-2-one is CC1=CC(=O)[C@]2(CCO[Si](C)(C)C(C)(C)C)CCC12.
What is the InChIKey of (1S)-1-[2-[tert-butyl(dimethyl)silyl]oxyethyl]-4-methylbicyclo[3.2.0]hept-3-en-2-one?
The InChIKey is HKGUEHJHTQISOD-VYIIXAMBSA-N. The full InChI is InChI=1S/C16H28O2Si/c1-12-11-14(17)16(8-7-13(12)16)9-10-18-19(5,6)15(2,3)4/h11,13H,7-10H2,1-6H3/t13?,16-/m0/s1.
What are the key properties of (1S)-1-[2-[tert-butyl(dimethyl)silyl]oxyethyl]-4-methylbicyclo[3.2.0]hept-3-en-2-one?
(1S)-1-[2-[tert-butyl(dimethyl)silyl]oxyethyl]-4-methylbicyclo[3.2.0]hept-3-en-2-one has a molecular weight of 280.48 g/mol, XLogP of 4.32, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (1S)-1-[2-[tert-butyl(dimethyl)silyl]oxyethyl]-4-methylbicyclo[3.2.0]hept-3-en-2-one is sourced from PubChem (CID 134832299), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).