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'}

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

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

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).