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

C13H24O3Si — CID 15359023

IUPACethyl (1R,6S,7S)-1-trimethylsilyloxybicyclo[4.1.0]heptane-7-carboxylate
SMILESCCOC(=O)[C@H]1[C@@H]2CCCC[C@@]21O[Si](C)(C)C
InChIInChI=1S/C13H24O3Si/c1-5-15-12(14)11-10-8-6-7-9-13(10,11)16-17(2,3)4/h10-11H,5-9H2,1-4H3/t10-,11+,13+/m0/s1
InChIKeyMHDDBMPQPLHLQO-DMDPSCGWSA-N
MW256.42 g/mol
LogP2.96
Rot. Bonds4

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

ethyl (1R,6S,7S)-1-trimethylsilyloxybicyclo[4.1.0]heptane-7-carboxylate (PubChem CID 15359023) has the molecular formula C13H24O3Si and a molecular weight of 256.42 g/mol. Its IUPAC name is ethyl (1R,6S,7S)-1-trimethylsilyloxybicyclo[4.1.0]heptane-7-carboxylate.

Molecular Properties

Compound Nameethyl (1R,6S,7S)-1-trimethylsilyloxybicyclo[4.1.0]heptane-7-carboxylate
PubChem CID15359023
Molecular FormulaC13H24O3Si
Molecular Weight256.42 g/mol
Exact Mass256.15
IUPAC Nameethyl (1R,6S,7S)-1-trimethylsilyloxybicyclo[4.1.0]heptane-7-carboxylate
SMILESCCOC(=O)[C@H]1[C@@H]2CCCC[C@@]21O[Si](C)(C)C
InChIInChI=1S/C13H24O3Si/c1-5-15-12(14)11-10-8-6-7-9-13(10,11)16-17(2,3)4/h10-11H,5-9H2,1-4H3/t10-,11+,13+/m0/s1
InChIKeyMHDDBMPQPLHLQO-DMDPSCGWSA-N
XLogP2.96
TPSA35.53 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500256.42
LogP ≤ 52.96
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 ethyl (1R,6S,7S)-1-trimethylsilyloxybicyclo[4.1.0]heptane-7-carboxylate?
The IUPAC name of ethyl (1R,6S,7S)-1-trimethylsilyloxybicyclo[4.1.0]heptane-7-carboxylate (CID 15359023) is ethyl (1R,6S,7S)-1-trimethylsilyloxybicyclo[4.1.0]heptane-7-carboxylate.
What is the SMILES notation for ethyl (1R,6S,7S)-1-trimethylsilyloxybicyclo[4.1.0]heptane-7-carboxylate?
The canonical SMILES for ethyl (1R,6S,7S)-1-trimethylsilyloxybicyclo[4.1.0]heptane-7-carboxylate is CCOC(=O)[C@H]1[C@@H]2CCCC[C@@]21O[Si](C)(C)C.
What is the InChIKey of ethyl (1R,6S,7S)-1-trimethylsilyloxybicyclo[4.1.0]heptane-7-carboxylate?
The InChIKey is MHDDBMPQPLHLQO-DMDPSCGWSA-N. The full InChI is InChI=1S/C13H24O3Si/c1-5-15-12(14)11-10-8-6-7-9-13(10,11)16-17(2,3)4/h10-11H,5-9H2,1-4H3/t10-,11+,13+/m0/s1.
What are the key properties of ethyl (1R,6S,7S)-1-trimethylsilyloxybicyclo[4.1.0]heptane-7-carboxylate?
ethyl (1R,6S,7S)-1-trimethylsilyloxybicyclo[4.1.0]heptane-7-carboxylate has a molecular weight of 256.42 g/mol, XLogP of 2.96, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl (1R,6S,7S)-1-trimethylsilyloxybicyclo[4.1.0]heptane-7-carboxylate is sourced from PubChem (CID 15359023), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).