methyl (3R)-3-[tert-butyl(dimethyl)silyl]cyclopentane-1-carboxylate

C13H26O2Si — CID 154710973

IUPACmethyl (3R)-3-[tert-butyl(dimethyl)silyl]cyclopentane-1-carboxylate
SMILESCOC(=O)C1CC[C@@H]([Si](C)(C)C(C)(C)C)C1
InChIInChI=1S/C13H26O2Si/c1-13(2,3)16(5,6)11-8-7-10(9-11)12(14)15-4/h10-11H,7-9H2,1-6H3/t10?,11-/m1/s1
InChIKeySKYUKKFLUCWKNJ-RRKGBCIJSA-N
MW242.43 g/mol
LogP3.84
Rot. Bonds2

About methyl (3R)-3-[tert-butyl(dimethyl)silyl]cyclopentane-1-carboxylate

methyl (3R)-3-[tert-butyl(dimethyl)silyl]cyclopentane-1-carboxylate (PubChem CID 154710973) has the molecular formula C13H26O2Si and a molecular weight of 242.43 g/mol. Its IUPAC name is methyl (3R)-3-[tert-butyl(dimethyl)silyl]cyclopentane-1-carboxylate.

Molecular Properties

Compound Namemethyl (3R)-3-[tert-butyl(dimethyl)silyl]cyclopentane-1-carboxylate
PubChem CID154710973
Molecular FormulaC13H26O2Si
Molecular Weight242.43 g/mol
Exact Mass242.17
IUPAC Namemethyl (3R)-3-[tert-butyl(dimethyl)silyl]cyclopentane-1-carboxylate
SMILESCOC(=O)C1CC[C@@H]([Si](C)(C)C(C)(C)C)C1
InChIInChI=1S/C13H26O2Si/c1-13(2,3)16(5,6)11-8-7-10(9-11)12(14)15-4/h10-11H,7-9H2,1-6H3/t10?,11-/m1/s1
InChIKeySKYUKKFLUCWKNJ-RRKGBCIJSA-N
XLogP3.84
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500242.43
LogP ≤ 53.84
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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-[tert-butyl(dimethyl)silyl]cyclopentane-1-carboxylate?
The IUPAC name of methyl (3R)-3-[tert-butyl(dimethyl)silyl]cyclopentane-1-carboxylate (CID 154710973) is methyl (3R)-3-[tert-butyl(dimethyl)silyl]cyclopentane-1-carboxylate.
What is the SMILES notation for methyl (3R)-3-[tert-butyl(dimethyl)silyl]cyclopentane-1-carboxylate?
The canonical SMILES for methyl (3R)-3-[tert-butyl(dimethyl)silyl]cyclopentane-1-carboxylate is COC(=O)C1CC[C@@H]([Si](C)(C)C(C)(C)C)C1.
What is the InChIKey of methyl (3R)-3-[tert-butyl(dimethyl)silyl]cyclopentane-1-carboxylate?
The InChIKey is SKYUKKFLUCWKNJ-RRKGBCIJSA-N. The full InChI is InChI=1S/C13H26O2Si/c1-13(2,3)16(5,6)11-8-7-10(9-11)12(14)15-4/h10-11H,7-9H2,1-6H3/t10?,11-/m1/s1.
What are the key properties of methyl (3R)-3-[tert-butyl(dimethyl)silyl]cyclopentane-1-carboxylate?
methyl (3R)-3-[tert-butyl(dimethyl)silyl]cyclopentane-1-carboxylate has a molecular weight of 242.43 g/mol, XLogP of 3.84, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for methyl (3R)-3-[tert-butyl(dimethyl)silyl]cyclopentane-1-carboxylate is sourced from PubChem (CID 154710973), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).