methyl (1S,7R)-7-[tert-butyl(dimethyl)silyl]oxybicyclo[5.2.0]non-8-ene-8-carboxylate

C17H30O3Si — CID 102465254

IUPACmethyl (1S,7R)-7-[tert-butyl(dimethyl)silyl]oxybicyclo[5.2.0]non-8-ene-8-carboxylate
SMILESCOC(=O)C1=C[C@@H]2CCCCC[C@]12O[Si](C)(C)C(C)(C)C
InChIInChI=1S/C17H30O3Si/c1-16(2,3)21(5,6)20-17-11-9-7-8-10-13(17)12-14(17)15(18)19-4/h12-13H,7-11H2,1-6H3/t13-,17+/m0/s1
InChIKeyOMFDTWYNDQYVGV-SUMWQHHRSA-N
MW310.51 g/mol
LogP4.44
Rot. Bonds3

About methyl (1S,7R)-7-[tert-butyl(dimethyl)silyl]oxybicyclo[5.2.0]non-8-ene-8-carboxylate

methyl (1S,7R)-7-[tert-butyl(dimethyl)silyl]oxybicyclo[5.2.0]non-8-ene-8-carboxylate (PubChem CID 102465254) has the molecular formula C17H30O3Si and a molecular weight of 310.51 g/mol. Its IUPAC name is methyl (1S,7R)-7-[tert-butyl(dimethyl)silyl]oxybicyclo[5.2.0]non-8-ene-8-carboxylate.

Molecular Properties

Compound Namemethyl (1S,7R)-7-[tert-butyl(dimethyl)silyl]oxybicyclo[5.2.0]non-8-ene-8-carboxylate
PubChem CID102465254
Molecular FormulaC17H30O3Si
Molecular Weight310.51 g/mol
Exact Mass310.20
IUPAC Namemethyl (1S,7R)-7-[tert-butyl(dimethyl)silyl]oxybicyclo[5.2.0]non-8-ene-8-carboxylate
SMILESCOC(=O)C1=C[C@@H]2CCCCC[C@]12O[Si](C)(C)C(C)(C)C
InChIInChI=1S/C17H30O3Si/c1-16(2,3)21(5,6)20-17-11-9-7-8-10-13(17)12-14(17)15(18)19-4/h12-13H,7-11H2,1-6H3/t13-,17+/m0/s1
InChIKeyOMFDTWYNDQYVGV-SUMWQHHRSA-N
XLogP4.44
TPSA35.53 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500310.51
LogP ≤ 54.44
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

methyl (4R,4aS,14aS)-14a-[tert-butyl(dimethyl)silyl]oxy-4-phenyl-4,4a,5,6,7,8,9,10,11,12,13,14-dodecahydrocyclododeca[b]pyran-2-carboxylate
CID 102021889
ethyl (1S,5R)-5-[tert-butyl(dimethyl)silyl]oxy-3,3-dimethylbicyclo[3.2.0]hept-6-ene-6-carboxylate
CID 11012787
methyl (4R,4aR,8aS)-8a-[tert-butyl(dimethyl)silyl]oxy-4-phenyl-4,4a,5,6,7,8-hexahydrochromene-2-carboxylate
CID 59051940
methyl (4R,4aS,8aR)-8a-[tert-butyl(dimethyl)silyl]oxy-4-phenyl-4,4a,5,6,7,8-hexahydrochromene-2-carboxylate
CID 10916444
1-[tert-butyl(dimethyl)silyl]oxy-2-methylcyclohexan-1-ol
CID 67592724
tert-butyl-[(1S,2R)-1-(2,5-dihydrofuran-3-yl)-2-ethenylcycloheptyl]oxy-dimethylsilane
CID 101270901
methyl (1R,6R)-6-methoxybicyclo[4.2.2]deca-7,9-diene-7-carboxylate
CID 134993388
dimethyl 9,9-dimethyl-1-oxaspiro[5.5]undeca-2,4-diene-3,5-dicarboxylate
CID 177248605
methyl 2-oxo-1-oxaspiro[4.5]dec-3-ene-4-carboxylate
CID 46192660
1-[(3R,3aR,7aS)-2-[tert-butyl(dimethyl)silyl]-3-methyl-3,4,5,6,7,7a-hexahydroinden-3a-yl]ethanone
CID 10017242
methyl (1S,5R,6S)-5-[tert-butyl(dimethyl)silyl]oxybicyclo[3.2.0]heptane-6-carboxylate
CID 134918792
1-[1-[tert-butyl(dimethyl)silyl]oxycyclohexyl]pentane-1,2-dione
CID 45103351

Frequently Asked Questions

What is the IUPAC name of methyl (1S,7R)-7-[tert-butyl(dimethyl)silyl]oxybicyclo[5.2.0]non-8-ene-8-carboxylate?
The IUPAC name of methyl (1S,7R)-7-[tert-butyl(dimethyl)silyl]oxybicyclo[5.2.0]non-8-ene-8-carboxylate (CID 102465254) is methyl (1S,7R)-7-[tert-butyl(dimethyl)silyl]oxybicyclo[5.2.0]non-8-ene-8-carboxylate.
What is the SMILES notation for methyl (1S,7R)-7-[tert-butyl(dimethyl)silyl]oxybicyclo[5.2.0]non-8-ene-8-carboxylate?
The canonical SMILES for methyl (1S,7R)-7-[tert-butyl(dimethyl)silyl]oxybicyclo[5.2.0]non-8-ene-8-carboxylate is COC(=O)C1=C[C@@H]2CCCCC[C@]12O[Si](C)(C)C(C)(C)C.
What is the InChIKey of methyl (1S,7R)-7-[tert-butyl(dimethyl)silyl]oxybicyclo[5.2.0]non-8-ene-8-carboxylate?
The InChIKey is OMFDTWYNDQYVGV-SUMWQHHRSA-N. The full InChI is InChI=1S/C17H30O3Si/c1-16(2,3)21(5,6)20-17-11-9-7-8-10-13(17)12-14(17)15(18)19-4/h12-13H,7-11H2,1-6H3/t13-,17+/m0/s1.
What are the key properties of methyl (1S,7R)-7-[tert-butyl(dimethyl)silyl]oxybicyclo[5.2.0]non-8-ene-8-carboxylate?
methyl (1S,7R)-7-[tert-butyl(dimethyl)silyl]oxybicyclo[5.2.0]non-8-ene-8-carboxylate has a molecular weight of 310.51 g/mol, XLogP of 4.44, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for methyl (1S,7R)-7-[tert-butyl(dimethyl)silyl]oxybicyclo[5.2.0]non-8-ene-8-carboxylate is sourced from PubChem (CID 102465254), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).