methyl (1R,6S,7S)-1-trimethylsilyloxybicyclo[4.1.0]heptane-7-carboxylate

C12H22O3Si — CID 12647182

IUPACmethyl (1R,6S,7S)-1-trimethylsilyloxybicyclo[4.1.0]heptane-7-carboxylate
SMILESCOC(=O)[C@H]1[C@@H]2CCCC[C@@]21O[Si](C)(C)C
InChIInChI=1S/C12H22O3Si/c1-14-11(13)10-9-7-5-6-8-12(9,10)15-16(2,3)4/h9-10H,5-8H2,1-4H3/t9-,10+,12+/m0/s1
InChIKeyCOFUQSMJWMEIEI-HOSYDEDBSA-N
MW242.39 g/mol
LogP2.57
Rot. Bonds3

About methyl (1R,6S,7S)-1-trimethylsilyloxybicyclo[4.1.0]heptane-7-carboxylate

methyl (1R,6S,7S)-1-trimethylsilyloxybicyclo[4.1.0]heptane-7-carboxylate (PubChem CID 12647182) has the molecular formula C12H22O3Si and a molecular weight of 242.39 g/mol. Its IUPAC name is methyl (1R,6S,7S)-1-trimethylsilyloxybicyclo[4.1.0]heptane-7-carboxylate.

Molecular Properties

Compound Namemethyl (1R,6S,7S)-1-trimethylsilyloxybicyclo[4.1.0]heptane-7-carboxylate
PubChem CID12647182
Molecular FormulaC12H22O3Si
Molecular Weight242.39 g/mol
Exact Mass242.13
IUPAC Namemethyl (1R,6S,7S)-1-trimethylsilyloxybicyclo[4.1.0]heptane-7-carboxylate
SMILESCOC(=O)[C@H]1[C@@H]2CCCC[C@@]21O[Si](C)(C)C
InChIInChI=1S/C12H22O3Si/c1-14-11(13)10-9-7-5-6-8-12(9,10)15-16(2,3)4/h9-10H,5-8H2,1-4H3/t9-,10+,12+/m0/s1
InChIKeyCOFUQSMJWMEIEI-HOSYDEDBSA-N
XLogP2.57
TPSA35.53 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500242.39
LogP ≤ 52.57
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,6S,7S)-1-trimethylsilyloxybicyclo[4.1.0]heptane-7-carboxylate?
The IUPAC name of methyl (1R,6S,7S)-1-trimethylsilyloxybicyclo[4.1.0]heptane-7-carboxylate (CID 12647182) is methyl (1R,6S,7S)-1-trimethylsilyloxybicyclo[4.1.0]heptane-7-carboxylate.
What is the SMILES notation for methyl (1R,6S,7S)-1-trimethylsilyloxybicyclo[4.1.0]heptane-7-carboxylate?
The canonical SMILES for methyl (1R,6S,7S)-1-trimethylsilyloxybicyclo[4.1.0]heptane-7-carboxylate is COC(=O)[C@H]1[C@@H]2CCCC[C@@]21O[Si](C)(C)C.
What is the InChIKey of methyl (1R,6S,7S)-1-trimethylsilyloxybicyclo[4.1.0]heptane-7-carboxylate?
The InChIKey is COFUQSMJWMEIEI-HOSYDEDBSA-N. The full InChI is InChI=1S/C12H22O3Si/c1-14-11(13)10-9-7-5-6-8-12(9,10)15-16(2,3)4/h9-10H,5-8H2,1-4H3/t9-,10+,12+/m0/s1.
What are the key properties of methyl (1R,6S,7S)-1-trimethylsilyloxybicyclo[4.1.0]heptane-7-carboxylate?
methyl (1R,6S,7S)-1-trimethylsilyloxybicyclo[4.1.0]heptane-7-carboxylate has a molecular weight of 242.39 g/mol, XLogP of 2.57, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for methyl (1R,6S,7S)-1-trimethylsilyloxybicyclo[4.1.0]heptane-7-carboxylate is sourced from PubChem (CID 12647182), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).