(1S,5R)-3-[tert-butyl(dimethyl)silyl]oxy-5-ethenyl-4-methylbicyclo[3.2.0]hept-3-en-6-one

C16H26O2Si — CID 10779004

IUPAC(1S,5R)-3-[tert-butyl(dimethyl)silyl]oxy-5-ethenyl-4-methylbicyclo[3.2.0]hept-3-en-6-one
SMILESC=C[C@@]12C(=O)C[C@@H]1CC(O[Si](C)(C)C(C)(C)C)=C2C
InChIInChI=1S/C16H26O2Si/c1-8-16-11(2)13(9-12(16)10-14(16)17)18-19(6,7)15(3,4)5/h8,12H,1,9-10H2,2-7H3/t12-,16-/m0/s1
InChIKeyCOPOPDSCMVEBTR-LRDDRELGSA-N
MW278.47 g/mol
LogP4.45
Rot. Bonds3

About (1S,5R)-3-[tert-butyl(dimethyl)silyl]oxy-5-ethenyl-4-methylbicyclo[3.2.0]hept-3-en-6-one

(1S,5R)-3-[tert-butyl(dimethyl)silyl]oxy-5-ethenyl-4-methylbicyclo[3.2.0]hept-3-en-6-one (PubChem CID 10779004) has the molecular formula C16H26O2Si and a molecular weight of 278.47 g/mol. Its IUPAC name is (1S,5R)-3-[tert-butyl(dimethyl)silyl]oxy-5-ethenyl-4-methylbicyclo[3.2.0]hept-3-en-6-one.

Molecular Properties

Compound Name(1S,5R)-3-[tert-butyl(dimethyl)silyl]oxy-5-ethenyl-4-methylbicyclo[3.2.0]hept-3-en-6-one
PubChem CID10779004
Molecular FormulaC16H26O2Si
Molecular Weight278.47 g/mol
Exact Mass278.17
IUPAC Name(1S,5R)-3-[tert-butyl(dimethyl)silyl]oxy-5-ethenyl-4-methylbicyclo[3.2.0]hept-3-en-6-one
SMILESC=C[C@@]12C(=O)C[C@@H]1CC(O[Si](C)(C)C(C)(C)C)=C2C
InChIInChI=1S/C16H26O2Si/c1-8-16-11(2)13(9-12(16)10-14(16)17)18-19(6,7)15(3,4)5/h8,12H,1,9-10H2,2-7H3/t12-,16-/m0/s1
InChIKeyCOPOPDSCMVEBTR-LRDDRELGSA-N
XLogP4.45
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500278.47
LogP ≤ 54.45
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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Frequently Asked Questions

What is the IUPAC name of (1S,5R)-3-[tert-butyl(dimethyl)silyl]oxy-5-ethenyl-4-methylbicyclo[3.2.0]hept-3-en-6-one?
The IUPAC name of (1S,5R)-3-[tert-butyl(dimethyl)silyl]oxy-5-ethenyl-4-methylbicyclo[3.2.0]hept-3-en-6-one (CID 10779004) is (1S,5R)-3-[tert-butyl(dimethyl)silyl]oxy-5-ethenyl-4-methylbicyclo[3.2.0]hept-3-en-6-one.
What is the SMILES notation for (1S,5R)-3-[tert-butyl(dimethyl)silyl]oxy-5-ethenyl-4-methylbicyclo[3.2.0]hept-3-en-6-one?
The canonical SMILES for (1S,5R)-3-[tert-butyl(dimethyl)silyl]oxy-5-ethenyl-4-methylbicyclo[3.2.0]hept-3-en-6-one is C=C[C@@]12C(=O)C[C@@H]1CC(O[Si](C)(C)C(C)(C)C)=C2C.
What is the InChIKey of (1S,5R)-3-[tert-butyl(dimethyl)silyl]oxy-5-ethenyl-4-methylbicyclo[3.2.0]hept-3-en-6-one?
The InChIKey is COPOPDSCMVEBTR-LRDDRELGSA-N. The full InChI is InChI=1S/C16H26O2Si/c1-8-16-11(2)13(9-12(16)10-14(16)17)18-19(6,7)15(3,4)5/h8,12H,1,9-10H2,2-7H3/t12-,16-/m0/s1.
What are the key properties of (1S,5R)-3-[tert-butyl(dimethyl)silyl]oxy-5-ethenyl-4-methylbicyclo[3.2.0]hept-3-en-6-one?
(1S,5R)-3-[tert-butyl(dimethyl)silyl]oxy-5-ethenyl-4-methylbicyclo[3.2.0]hept-3-en-6-one has a molecular weight of 278.47 g/mol, XLogP of 4.45, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (1S,5R)-3-[tert-butyl(dimethyl)silyl]oxy-5-ethenyl-4-methylbicyclo[3.2.0]hept-3-en-6-one is sourced from PubChem (CID 10779004), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).