methyl (1R,5S,6R)-1-trimethylsilyloxybicyclo[3.1.0]hexane-6-carboxylate

C11H20O3Si — CID 134992911

IUPACmethyl (1R,5S,6R)-1-trimethylsilyloxybicyclo[3.1.0]hexane-6-carboxylate
SMILESCOC(=O)[C@@H]1[C@@H]2CCC[C@]12O[Si](C)(C)C
InChIInChI=1S/C11H20O3Si/c1-13-10(12)9-8-6-5-7-11(8,9)14-15(2,3)4/h8-9H,5-7H2,1-4H3/t8-,9-,11+/m0/s1
InChIKeyDDYLOBREMDUDFG-ATZCPNFKSA-N
MW228.36 g/mol
LogP2.18
Rot. Bonds3

About methyl (1R,5S,6R)-1-trimethylsilyloxybicyclo[3.1.0]hexane-6-carboxylate

methyl (1R,5S,6R)-1-trimethylsilyloxybicyclo[3.1.0]hexane-6-carboxylate (PubChem CID 134992911) has the molecular formula C11H20O3Si and a molecular weight of 228.36 g/mol. Its IUPAC name is methyl (1R,5S,6R)-1-trimethylsilyloxybicyclo[3.1.0]hexane-6-carboxylate.

Molecular Properties

Compound Namemethyl (1R,5S,6R)-1-trimethylsilyloxybicyclo[3.1.0]hexane-6-carboxylate
PubChem CID134992911
Molecular FormulaC11H20O3Si
Molecular Weight228.36 g/mol
Exact Mass228.12
IUPAC Namemethyl (1R,5S,6R)-1-trimethylsilyloxybicyclo[3.1.0]hexane-6-carboxylate
SMILESCOC(=O)[C@@H]1[C@@H]2CCC[C@]12O[Si](C)(C)C
InChIInChI=1S/C11H20O3Si/c1-13-10(12)9-8-6-5-7-11(8,9)14-15(2,3)4/h8-9H,5-7H2,1-4H3/t8-,9-,11+/m0/s1
InChIKeyDDYLOBREMDUDFG-ATZCPNFKSA-N
XLogP2.18
TPSA35.53 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500228.36
LogP ≤ 52.18
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of methyl (1R,5S,6R)-1-trimethylsilyloxybicyclo[3.1.0]hexane-6-carboxylate?
The IUPAC name of methyl (1R,5S,6R)-1-trimethylsilyloxybicyclo[3.1.0]hexane-6-carboxylate (CID 134992911) is methyl (1R,5S,6R)-1-trimethylsilyloxybicyclo[3.1.0]hexane-6-carboxylate.
What is the SMILES notation for methyl (1R,5S,6R)-1-trimethylsilyloxybicyclo[3.1.0]hexane-6-carboxylate?
The canonical SMILES for methyl (1R,5S,6R)-1-trimethylsilyloxybicyclo[3.1.0]hexane-6-carboxylate is COC(=O)[C@@H]1[C@@H]2CCC[C@]12O[Si](C)(C)C.
What is the InChIKey of methyl (1R,5S,6R)-1-trimethylsilyloxybicyclo[3.1.0]hexane-6-carboxylate?
The InChIKey is DDYLOBREMDUDFG-ATZCPNFKSA-N. The full InChI is InChI=1S/C11H20O3Si/c1-13-10(12)9-8-6-5-7-11(8,9)14-15(2,3)4/h8-9H,5-7H2,1-4H3/t8-,9-,11+/m0/s1.
What are the key properties of methyl (1R,5S,6R)-1-trimethylsilyloxybicyclo[3.1.0]hexane-6-carboxylate?
methyl (1R,5S,6R)-1-trimethylsilyloxybicyclo[3.1.0]hexane-6-carboxylate has a molecular weight of 228.36 g/mol, XLogP of 2.18, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for methyl (1R,5S,6R)-1-trimethylsilyloxybicyclo[3.1.0]hexane-6-carboxylate is sourced from PubChem (CID 134992911), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).