(1R,5S,7R)-3-[tert-butyl(dimethyl)silyl]oxy-5-ethenyl-4,7-dimethylbicyclo[3.2.0]hept-3-en-6-one

C17H28O2Si — CID 10517787

IUPAC(1R,5S,7R)-3-[tert-butyl(dimethyl)silyl]oxy-5-ethenyl-4,7-dimethylbicyclo[3.2.0]hept-3-en-6-one
SMILESC=C[C@]12C(=O)[C@H](C)[C@H]1CC(O[Si](C)(C)C(C)(C)C)=C2C
InChIInChI=1S/C17H28O2Si/c1-9-17-12(3)14(10-13(17)11(2)15(17)18)19-20(7,8)16(4,5)6/h9,11,13H,1,10H2,2-8H3/t11-,13-,17-/m1/s1
InChIKeyPXUXRPISNAYBPD-CJBNDPTMSA-N
MW292.50 g/mol
LogP4.69
Rot. Bonds3

About (1R,5S,7R)-3-[tert-butyl(dimethyl)silyl]oxy-5-ethenyl-4,7-dimethylbicyclo[3.2.0]hept-3-en-6-one

(1R,5S,7R)-3-[tert-butyl(dimethyl)silyl]oxy-5-ethenyl-4,7-dimethylbicyclo[3.2.0]hept-3-en-6-one (PubChem CID 10517787) has the molecular formula C17H28O2Si and a molecular weight of 292.50 g/mol. Its IUPAC name is (1R,5S,7R)-3-[tert-butyl(dimethyl)silyl]oxy-5-ethenyl-4,7-dimethylbicyclo[3.2.0]hept-3-en-6-one.

Molecular Properties

Compound Name(1R,5S,7R)-3-[tert-butyl(dimethyl)silyl]oxy-5-ethenyl-4,7-dimethylbicyclo[3.2.0]hept-3-en-6-one
PubChem CID10517787
Molecular FormulaC17H28O2Si
Molecular Weight292.50 g/mol
Exact Mass292.19
IUPAC Name(1R,5S,7R)-3-[tert-butyl(dimethyl)silyl]oxy-5-ethenyl-4,7-dimethylbicyclo[3.2.0]hept-3-en-6-one
SMILESC=C[C@]12C(=O)[C@H](C)[C@H]1CC(O[Si](C)(C)C(C)(C)C)=C2C
InChIInChI=1S/C17H28O2Si/c1-9-17-12(3)14(10-13(17)11(2)15(17)18)19-20(7,8)16(4,5)6/h9,11,13H,1,10H2,2-8H3/t11-,13-,17-/m1/s1
InChIKeyPXUXRPISNAYBPD-CJBNDPTMSA-N
XLogP4.69
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500292.50
LogP ≤ 54.69
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 (1R,5S,7R)-3-[tert-butyl(dimethyl)silyl]oxy-5-ethenyl-4,7-dimethylbicyclo[3.2.0]hept-3-en-6-one?
The IUPAC name of (1R,5S,7R)-3-[tert-butyl(dimethyl)silyl]oxy-5-ethenyl-4,7-dimethylbicyclo[3.2.0]hept-3-en-6-one (CID 10517787) is (1R,5S,7R)-3-[tert-butyl(dimethyl)silyl]oxy-5-ethenyl-4,7-dimethylbicyclo[3.2.0]hept-3-en-6-one.
What is the SMILES notation for (1R,5S,7R)-3-[tert-butyl(dimethyl)silyl]oxy-5-ethenyl-4,7-dimethylbicyclo[3.2.0]hept-3-en-6-one?
The canonical SMILES for (1R,5S,7R)-3-[tert-butyl(dimethyl)silyl]oxy-5-ethenyl-4,7-dimethylbicyclo[3.2.0]hept-3-en-6-one is C=C[C@]12C(=O)[C@H](C)[C@H]1CC(O[Si](C)(C)C(C)(C)C)=C2C.
What is the InChIKey of (1R,5S,7R)-3-[tert-butyl(dimethyl)silyl]oxy-5-ethenyl-4,7-dimethylbicyclo[3.2.0]hept-3-en-6-one?
The InChIKey is PXUXRPISNAYBPD-CJBNDPTMSA-N. The full InChI is InChI=1S/C17H28O2Si/c1-9-17-12(3)14(10-13(17)11(2)15(17)18)19-20(7,8)16(4,5)6/h9,11,13H,1,10H2,2-8H3/t11-,13-,17-/m1/s1.
What are the key properties of (1R,5S,7R)-3-[tert-butyl(dimethyl)silyl]oxy-5-ethenyl-4,7-dimethylbicyclo[3.2.0]hept-3-en-6-one?
(1R,5S,7R)-3-[tert-butyl(dimethyl)silyl]oxy-5-ethenyl-4,7-dimethylbicyclo[3.2.0]hept-3-en-6-one has a molecular weight of 292.50 g/mol, XLogP of 4.69, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (1R,5S,7R)-3-[tert-butyl(dimethyl)silyl]oxy-5-ethenyl-4,7-dimethylbicyclo[3.2.0]hept-3-en-6-one is sourced from PubChem (CID 10517787), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).