methyl (1S,8S,9S)-8-[tert-butyl(dimethyl)silyl]oxy-1-methylbicyclo[6.2.0]decane-9-carboxylate

C19H36O3Si — CID 134918585

About methyl (1S,8S,9S)-8-[tert-butyl(dimethyl)silyl]oxy-1-methylbicyclo[6.2.0]decane-9-carboxylate

methyl (1S,8S,9S)-8-[tert-butyl(dimethyl)silyl]oxy-1-methylbicyclo[6.2.0]decane-9-carboxylate (PubChem CID 134918585) has the molecular formula C19H36O3Si and a molecular weight of 340.58 g/mol. Its IUPAC name is methyl (1S,8S,9S)-8-[tert-butyl(dimethyl)silyl]oxy-1-methylbicyclo[6.2.0]decane-9-carboxylate.

Molecular Properties

• Compound Name: methyl (1S,8S,9S)-8-[tert-butyl(dimethyl)silyl]oxy-1-methylbicyclo[6.2.0]decane-9-carboxylate
• PubChem CID: 134918585
• Molecular Formula: C19H36O3Si
• Molecular Weight: 340.58 g/mol
• Exact Mass: 340.24
• IUPAC Name: methyl (1S,8S,9S)-8-[tert-butyl(dimethyl)silyl]oxy-1-methylbicyclo[6.2.0]decane-9-carboxylate
• SMILES: COC(=O)[C@H]1C[C@]2(C)CCCCCC[C@]12O[Si](C)(C)C(C)(C)C
• InChI: InChI=1S/C19H36O3Si/c1-17(2,3)23(6,7)22-19-13-11-9-8-10-12-18(19,4)14-15(19)16(20)21-5/h15H,8-14H2,1-7H3/t15-,18+,19+/m1/s1
• InChIKey: FMLDUMFBILNGTQ-MNEFBYGVSA-N
• XLogP: 5.30
• TPSA: 35.53 Ų
• H-Bond Acceptors: 3
• Rotatable Bonds: 3
• Heavy Atoms: 23
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	340.58
LogP ≤ 5	5.30
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	3

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of methyl (1S,8S,9S)-8-[tert-butyl(dimethyl)silyl]oxy-1-methylbicyclo[6.2.0]decane-9-carboxylate?

The IUPAC name of methyl (1S,8S,9S)-8-[tert-butyl(dimethyl)silyl]oxy-1-methylbicyclo[6.2.0]decane-9-carboxylate (CID 134918585) is methyl (1S,8S,9S)-8-[tert-butyl(dimethyl)silyl]oxy-1-methylbicyclo[6.2.0]decane-9-carboxylate.

What is the SMILES notation for methyl (1S,8S,9S)-8-[tert-butyl(dimethyl)silyl]oxy-1-methylbicyclo[6.2.0]decane-9-carboxylate?

The canonical SMILES for methyl (1S,8S,9S)-8-[tert-butyl(dimethyl)silyl]oxy-1-methylbicyclo[6.2.0]decane-9-carboxylate is COC(=O)[C@H]1C[C@]2(C)CCCCCC[C@]12O[Si](C)(C)C(C)(C)C.

What is the InChIKey of methyl (1S,8S,9S)-8-[tert-butyl(dimethyl)silyl]oxy-1-methylbicyclo[6.2.0]decane-9-carboxylate?

The InChIKey is FMLDUMFBILNGTQ-MNEFBYGVSA-N. The full InChI is InChI=1S/C19H36O3Si/c1-17(2,3)23(6,7)22-19-13-11-9-8-10-12-18(19,4)14-15(19)16(20)21-5/h15H,8-14H2,1-7H3/t15-,18+,19+/m1/s1.

What are the key properties of methyl (1S,8S,9S)-8-[tert-butyl(dimethyl)silyl]oxy-1-methylbicyclo[6.2.0]decane-9-carboxylate?

methyl (1S,8S,9S)-8-[tert-butyl(dimethyl)silyl]oxy-1-methylbicyclo[6.2.0]decane-9-carboxylate has a molecular weight of 340.58 g/mol, XLogP of 5.30, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.

Where does this data come from?

All data for methyl (1S,8S,9S)-8-[tert-butyl(dimethyl)silyl]oxy-1-methylbicyclo[6.2.0]decane-9-carboxylate is sourced from PubChem (CID 134918585), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).