trans-methyl (1S,2R)-1-[tert-butyl(dimethyl)silyl]oxy-2-methylcyclopropane-1-carboxylate

C12H24O3Si — CID 134894689

IUPACtrans-methyl (1S,2R)-1-[tert-butyl(dimethyl)silyl]oxy-2-methylcyclopropane-1-carboxylate
SMILESCOC(=O)[C@]1(O[Si](C)(C)C(C)(C)C)C[C@H]1C
InChIInChI=1S/C12H24O3Si/c1-9-8-12(9,10(13)14-5)15-16(6,7)11(2,3)4/h9H,8H2,1-7H3/t9-,12+/m1/s1
InChIKeyUSHGMLVMIQZLFX-SKDRFNHKSA-N
MW244.41 g/mol
LogP2.96
Rot. Bonds3

About trans-methyl (1S,2R)-1-[tert-butyl(dimethyl)silyl]oxy-2-methylcyclopropane-1-carboxylate

trans-methyl (1S,2R)-1-[tert-butyl(dimethyl)silyl]oxy-2-methylcyclopropane-1-carboxylate (PubChem CID 134894689) has the molecular formula C12H24O3Si and a molecular weight of 244.41 g/mol. Its IUPAC name is trans-methyl (1S,2R)-1-[tert-butyl(dimethyl)silyl]oxy-2-methylcyclopropane-1-carboxylate.

Molecular Properties

Compound Nametrans-methyl (1S,2R)-1-[tert-butyl(dimethyl)silyl]oxy-2-methylcyclopropane-1-carboxylate
PubChem CID134894689
Molecular FormulaC12H24O3Si
Molecular Weight244.41 g/mol
Exact Mass244.15
IUPAC Nametrans-methyl (1S,2R)-1-[tert-butyl(dimethyl)silyl]oxy-2-methylcyclopropane-1-carboxylate
SMILESCOC(=O)[C@]1(O[Si](C)(C)C(C)(C)C)C[C@H]1C
InChIInChI=1S/C12H24O3Si/c1-9-8-12(9,10(13)14-5)15-16(6,7)11(2,3)4/h9H,8H2,1-7H3/t9-,12+/m1/s1
InChIKeyUSHGMLVMIQZLFX-SKDRFNHKSA-N
XLogP2.96
TPSA35.53 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500244.41
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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Related Compounds

(s)-Methyl 2-(t-butyldimethylsilanyloxy)-4-methyl-pentanoate
CID 16756101
Methyl 2-[[methoxy-di(propan-2-yl)silyl]methyl]cyclopropane-1-carboxylate
CID 91573439
Trimethylsilyl 2-methyl-1-trimethylsilyloxycyclopropane-1-carboxylate
CID 13124375
(R)-ethyl 2-((tert-butyldimethylsilyl)oxy)propanoate
CID 14778628
1-(Triisopropylsilyloxy)cyclopropylcarboxylic Acid Methyl Ester
CID 15480705
CID 18338446
CID 18338446
Methyl 2-[tert-butyl(dimethyl)silyl]oxy-2-ethylbutanoate
CID 22456916
1-(tert-Butyl-dimethyl-silanyloxy)-cyclopropanecarboxylic acid ethyl ester
CID 60006927
1-[Tert-butyl(dimethyl)silyl]oxy-2-methylcyclopropane-1-carboxylic acid
CID 69997278
(Tert-butyl-dimethyl-silanyloxy)-cyclopropyl-acetic acid methyl ester
CID 86711764
Methyl 1-[tert-butyl(dimethyl)silyl]oxycyclobutane-1-carboxylate
CID 155747514
Methyl 1-deuterio-2-[[di(propan-2-yl)-(trideuteriomethoxy)silyl]methyl]cyclopropane-1-carboxylate
CID 101337787

Frequently Asked Questions

What is the IUPAC name of trans-methyl (1S,2R)-1-[tert-butyl(dimethyl)silyl]oxy-2-methylcyclopropane-1-carboxylate?
The IUPAC name of trans-methyl (1S,2R)-1-[tert-butyl(dimethyl)silyl]oxy-2-methylcyclopropane-1-carboxylate (CID 134894689) is trans-methyl (1S,2R)-1-[tert-butyl(dimethyl)silyl]oxy-2-methylcyclopropane-1-carboxylate.
What is the SMILES notation for trans-methyl (1S,2R)-1-[tert-butyl(dimethyl)silyl]oxy-2-methylcyclopropane-1-carboxylate?
The canonical SMILES for trans-methyl (1S,2R)-1-[tert-butyl(dimethyl)silyl]oxy-2-methylcyclopropane-1-carboxylate is COC(=O)[C@]1(O[Si](C)(C)C(C)(C)C)C[C@H]1C.
What is the InChIKey of trans-methyl (1S,2R)-1-[tert-butyl(dimethyl)silyl]oxy-2-methylcyclopropane-1-carboxylate?
The InChIKey is USHGMLVMIQZLFX-SKDRFNHKSA-N. The full InChI is InChI=1S/C12H24O3Si/c1-9-8-12(9,10(13)14-5)15-16(6,7)11(2,3)4/h9H,8H2,1-7H3/t9-,12+/m1/s1.
What are the key properties of trans-methyl (1S,2R)-1-[tert-butyl(dimethyl)silyl]oxy-2-methylcyclopropane-1-carboxylate?
trans-methyl (1S,2R)-1-[tert-butyl(dimethyl)silyl]oxy-2-methylcyclopropane-1-carboxylate has a molecular weight of 244.41 g/mol, XLogP of 2.96, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for trans-methyl (1S,2R)-1-[tert-butyl(dimethyl)silyl]oxy-2-methylcyclopropane-1-carboxylate is sourced from PubChem (CID 134894689), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).