methyl 1-deuterio-2-[[di(propan-2-yl)-(trideuteriomethoxy)silyl]methyl]cyclopropane-1-carboxylate

C13H26O3Si — CID 101337787

IUPACmethyl 1-deuterio-2-[[di(propan-2-yl)-(trideuteriomethoxy)silyl]methyl]cyclopropane-1-carboxylate
SMILES[2H]C([2H])([2H])O[Si](CC1CC1([2H])C(=O)OC)(C(C)C)C(C)C
InChIInChI=1S/C13H26O3Si/c1-9(2)17(16-6,10(3)4)8-11-7-12(11)13(14)15-5/h9-12H,7-8H2,1-6H3/i6D3,12D
InChIKeyHWDKWJSJQJPFMZ-ITBSAAOHSA-N
MW262.46 g/mol
LogP3.21
Rot. Bonds7

About methyl 1-deuterio-2-[[di(propan-2-yl)-(trideuteriomethoxy)silyl]methyl]cyclopropane-1-carboxylate

methyl 1-deuterio-2-[[di(propan-2-yl)-(trideuteriomethoxy)silyl]methyl]cyclopropane-1-carboxylate (PubChem CID 101337787) has the molecular formula C13H26O3Si and a molecular weight of 262.46 g/mol. Its IUPAC name is methyl 1-deuterio-2-[[di(propan-2-yl)-(trideuteriomethoxy)silyl]methyl]cyclopropane-1-carboxylate.

Molecular Properties

Compound Namemethyl 1-deuterio-2-[[di(propan-2-yl)-(trideuteriomethoxy)silyl]methyl]cyclopropane-1-carboxylate
PubChem CID101337787
Molecular FormulaC13H26O3Si
Molecular Weight262.46 g/mol
Exact Mass262.19
IUPAC Namemethyl 1-deuterio-2-[[di(propan-2-yl)-(trideuteriomethoxy)silyl]methyl]cyclopropane-1-carboxylate
SMILES[2H]C([2H])([2H])O[Si](CC1CC1([2H])C(=O)OC)(C(C)C)C(C)C
InChIInChI=1S/C13H26O3Si/c1-9(2)17(16-6,10(3)4)8-11-7-12(11)13(14)15-5/h9-12H,7-8H2,1-6H3/i6D3,12D
InChIKeyHWDKWJSJQJPFMZ-ITBSAAOHSA-N
XLogP3.21
TPSA35.53 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500262.46
LogP ≤ 53.21
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

Analyze methyl 1-deuterio-2-[[di(propan-2-yl)-(trideuteriomethoxy)silyl]methyl]cyclopropane-1-carboxylate with MolForge

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Related Compounds

2-Methylpentanoic acid trimethylsilyl ester
CID 13862003
4-Methylvaleric acid, trimethylsilyl ester
CID 554430
4-Methylvaleric acid, tert-butyldimethylsilyl ester
CID 554785
Trimethylsilyl 3-methylvalerate
CID 91697307
Propyl 2-(trimethylsilylmethyl)cyclo-propanecarboxylate
CID 13658051
Methyl 2-[[methoxy-di(propan-2-yl)silyl]methyl]cyclopropane-1-carboxylate
CID 91573439
trans-methyl (1S,2R)-1-[tert-butyl(dimethyl)silyl]oxy-2-methylcyclopropane-1-carboxylate
CID 134894689
Ethyl 3-ethyl-2-trimethylsilylpentanoate
CID 145865785
Ethyl 3-methyl-2-trimethylsilylpentanoate
CID 145865786
methyl (2S,3S)-3-[fluoro(dimethyl)silyl]-2,4-dimethylpentanoate
CID 10353428
methyl (2S,3R)-3-[fluoro(dimethyl)silyl]-2,4-dimethylpentanoate
CID 122405712
[Diethyl(methyl)silyl] 4-methylpentanoate
CID 170849347

Frequently Asked Questions

What is the IUPAC name of methyl 1-deuterio-2-[[di(propan-2-yl)-(trideuteriomethoxy)silyl]methyl]cyclopropane-1-carboxylate?
The IUPAC name of methyl 1-deuterio-2-[[di(propan-2-yl)-(trideuteriomethoxy)silyl]methyl]cyclopropane-1-carboxylate (CID 101337787) is methyl 1-deuterio-2-[[di(propan-2-yl)-(trideuteriomethoxy)silyl]methyl]cyclopropane-1-carboxylate.
What is the SMILES notation for methyl 1-deuterio-2-[[di(propan-2-yl)-(trideuteriomethoxy)silyl]methyl]cyclopropane-1-carboxylate?
The canonical SMILES for methyl 1-deuterio-2-[[di(propan-2-yl)-(trideuteriomethoxy)silyl]methyl]cyclopropane-1-carboxylate is [2H]C([2H])([2H])O[Si](CC1CC1([2H])C(=O)OC)(C(C)C)C(C)C.
What is the InChIKey of methyl 1-deuterio-2-[[di(propan-2-yl)-(trideuteriomethoxy)silyl]methyl]cyclopropane-1-carboxylate?
The InChIKey is HWDKWJSJQJPFMZ-ITBSAAOHSA-N. The full InChI is InChI=1S/C13H26O3Si/c1-9(2)17(16-6,10(3)4)8-11-7-12(11)13(14)15-5/h9-12H,7-8H2,1-6H3/i6D3,12D.
What are the key properties of methyl 1-deuterio-2-[[di(propan-2-yl)-(trideuteriomethoxy)silyl]methyl]cyclopropane-1-carboxylate?
methyl 1-deuterio-2-[[di(propan-2-yl)-(trideuteriomethoxy)silyl]methyl]cyclopropane-1-carboxylate has a molecular weight of 262.46 g/mol, XLogP of 3.21, 7 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 1-deuterio-2-[[di(propan-2-yl)-(trideuteriomethoxy)silyl]methyl]cyclopropane-1-carboxylate is sourced from PubChem (CID 101337787), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).