methyl (3R)-3-cyclohexyl-3-trimethylsilyloxypropanoate

C13H26O3Si — CID 10967187

IUPACmethyl (3R)-3-cyclohexyl-3-trimethylsilyloxypropanoate
SMILESCOC(=O)C[C@@H](O[Si](C)(C)C)C1CCCCC1
InChIInChI=1S/C13H26O3Si/c1-15-13(14)10-12(16-17(2,3)4)11-8-6-5-7-9-11/h11-12H,5-10H2,1-4H3/t12-/m1/s1
InChIKeyBQMOJVUNRUEROQ-GFCCVEGCSA-N
MW258.43 g/mol
LogP3.35
Rot. Bonds5

About methyl (3R)-3-cyclohexyl-3-trimethylsilyloxypropanoate

methyl (3R)-3-cyclohexyl-3-trimethylsilyloxypropanoate (PubChem CID 10967187) has the molecular formula C13H26O3Si and a molecular weight of 258.43 g/mol. Its IUPAC name is methyl (3R)-3-cyclohexyl-3-trimethylsilyloxypropanoate.

Molecular Properties

Compound Namemethyl (3R)-3-cyclohexyl-3-trimethylsilyloxypropanoate
PubChem CID10967187
Molecular FormulaC13H26O3Si
Molecular Weight258.43 g/mol
Exact Mass258.17
IUPAC Namemethyl (3R)-3-cyclohexyl-3-trimethylsilyloxypropanoate
SMILESCOC(=O)C[C@@H](O[Si](C)(C)C)C1CCCCC1
InChIInChI=1S/C13H26O3Si/c1-15-13(14)10-12(16-17(2,3)4)11-8-6-5-7-9-11/h11-12H,5-10H2,1-4H3/t12-/m1/s1
InChIKeyBQMOJVUNRUEROQ-GFCCVEGCSA-N
XLogP3.35
TPSA35.53 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500258.43
LogP ≤ 53.35
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 (3R)-3-cyclohexyl-3-trimethylsilyloxypropanoate?
The IUPAC name of methyl (3R)-3-cyclohexyl-3-trimethylsilyloxypropanoate (CID 10967187) is methyl (3R)-3-cyclohexyl-3-trimethylsilyloxypropanoate.
What is the SMILES notation for methyl (3R)-3-cyclohexyl-3-trimethylsilyloxypropanoate?
The canonical SMILES for methyl (3R)-3-cyclohexyl-3-trimethylsilyloxypropanoate is COC(=O)C[C@@H](O[Si](C)(C)C)C1CCCCC1.
What is the InChIKey of methyl (3R)-3-cyclohexyl-3-trimethylsilyloxypropanoate?
The InChIKey is BQMOJVUNRUEROQ-GFCCVEGCSA-N. The full InChI is InChI=1S/C13H26O3Si/c1-15-13(14)10-12(16-17(2,3)4)11-8-6-5-7-9-11/h11-12H,5-10H2,1-4H3/t12-/m1/s1.
What are the key properties of methyl (3R)-3-cyclohexyl-3-trimethylsilyloxypropanoate?
methyl (3R)-3-cyclohexyl-3-trimethylsilyloxypropanoate has a molecular weight of 258.43 g/mol, XLogP of 3.35, 5 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for methyl (3R)-3-cyclohexyl-3-trimethylsilyloxypropanoate is sourced from PubChem (CID 10967187), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).