cis-methyl (1S,2R)-2-[2-[tert-butyl(dimethyl)silyl]oxyethyl]cyclopropane-1-carboxylate

C13H26O3Si — CID 140907186

IUPACcis-methyl (1S,2R)-2-[2-[tert-butyl(dimethyl)silyl]oxyethyl]cyclopropane-1-carboxylate
SMILESCOC(=O)[C@H]1C[C@@H]1CCO[Si](C)(C)C(C)(C)C
InChIInChI=1S/C13H26O3Si/c1-13(2,3)17(5,6)16-8-7-10-9-11(10)12(14)15-4/h10-11H,7-9H2,1-6H3/t10-,11-/m0/s1
InChIKeyOKCJESPLSPTVEI-QWRGUYRKSA-N
MW258.43 g/mol
LogP3.21
Rot. Bonds5

About cis-methyl (1S,2R)-2-[2-[tert-butyl(dimethyl)silyl]oxyethyl]cyclopropane-1-carboxylate

cis-methyl (1S,2R)-2-[2-[tert-butyl(dimethyl)silyl]oxyethyl]cyclopropane-1-carboxylate (PubChem CID 140907186) has the molecular formula C13H26O3Si and a molecular weight of 258.43 g/mol. Its IUPAC name is cis-methyl (1S,2R)-2-[2-[tert-butyl(dimethyl)silyl]oxyethyl]cyclopropane-1-carboxylate.

Molecular Properties

Compound Namecis-methyl (1S,2R)-2-[2-[tert-butyl(dimethyl)silyl]oxyethyl]cyclopropane-1-carboxylate
PubChem CID140907186
Molecular FormulaC13H26O3Si
Molecular Weight258.43 g/mol
Exact Mass258.17
IUPAC Namecis-methyl (1S,2R)-2-[2-[tert-butyl(dimethyl)silyl]oxyethyl]cyclopropane-1-carboxylate
SMILESCOC(=O)[C@H]1C[C@@H]1CCO[Si](C)(C)C(C)(C)C
InChIInChI=1S/C13H26O3Si/c1-13(2,3)17(5,6)16-8-7-10-9-11(10)12(14)15-4/h10-11H,7-9H2,1-6H3/t10-,11-/m0/s1
InChIKeyOKCJESPLSPTVEI-QWRGUYRKSA-N
XLogP3.21
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 ≤ 53.21
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

Methyl 4-(trimethylsilylmethyl)hexanoate
CID 14712721
methyl 3-(R)-methyl-5-(t-butyldimethylsilyloxy)pentanoate
CID 14234521
methyl (3R)-5-[tert-butyl(dimethyl)silyl]oxy-2,3-dimethylpentanoate
CID 11953529
ethyl (2R)-5-[tert-butyl(dimethyl)silyl]oxy-2-(2-oxoethyl)pentanoate
CID 56926514
Methyl 5-([tert-butyl(dimethyl)silyl]oxy)-4-methylhexanoate
CID 553326
methyl (2R,4S)-5-[tert-butyl(dimethyl)silyl]oxy-2,4-dimethylpentanoate
CID 10659968
methyl (4S)-5-[tert-butyl(dimethyl)silyl]oxy-4-methylpentanoate
CID 11737070
Methyl 5-[tert-butyl(dimethyl)silyl]oxy-3-methylpentanoate
CID 14234520
methyl (2S,3S)-5-[tert-butyl(dimethyl)silyl]oxy-2,3-dimethylpentanoate
CID 58591556
methyl (3R)-5-[butyl(dimethyl)silyl]oxy-3-methylpentanoate
CID 88637487
cis-(1R,2S)-2-[2-[tert-butyl(dimethyl)silyl]oxyethyl]cyclopropane-1-carboxylic acid
CID 140318947
cis-methyl (1R,2S)-2-[2-[tert-butyl(dimethyl)silyl]oxyethyl]cyclopropane-1-carboxylate
CID 140318963

Frequently Asked Questions

What is the IUPAC name of cis-methyl (1S,2R)-2-[2-[tert-butyl(dimethyl)silyl]oxyethyl]cyclopropane-1-carboxylate?
The IUPAC name of cis-methyl (1S,2R)-2-[2-[tert-butyl(dimethyl)silyl]oxyethyl]cyclopropane-1-carboxylate (CID 140907186) is cis-methyl (1S,2R)-2-[2-[tert-butyl(dimethyl)silyl]oxyethyl]cyclopropane-1-carboxylate.
What is the SMILES notation for cis-methyl (1S,2R)-2-[2-[tert-butyl(dimethyl)silyl]oxyethyl]cyclopropane-1-carboxylate?
The canonical SMILES for cis-methyl (1S,2R)-2-[2-[tert-butyl(dimethyl)silyl]oxyethyl]cyclopropane-1-carboxylate is COC(=O)[C@H]1C[C@@H]1CCO[Si](C)(C)C(C)(C)C.
What is the InChIKey of cis-methyl (1S,2R)-2-[2-[tert-butyl(dimethyl)silyl]oxyethyl]cyclopropane-1-carboxylate?
The InChIKey is OKCJESPLSPTVEI-QWRGUYRKSA-N. The full InChI is InChI=1S/C13H26O3Si/c1-13(2,3)17(5,6)16-8-7-10-9-11(10)12(14)15-4/h10-11H,7-9H2,1-6H3/t10-,11-/m0/s1.
What are the key properties of cis-methyl (1S,2R)-2-[2-[tert-butyl(dimethyl)silyl]oxyethyl]cyclopropane-1-carboxylate?
cis-methyl (1S,2R)-2-[2-[tert-butyl(dimethyl)silyl]oxyethyl]cyclopropane-1-carboxylate has a molecular weight of 258.43 g/mol, XLogP of 3.21, 5 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for cis-methyl (1S,2R)-2-[2-[tert-butyl(dimethyl)silyl]oxyethyl]cyclopropane-1-carboxylate is sourced from PubChem (CID 140907186), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).