methyl (4R)-4-deuterio-4-methoxy-2,2,3,3-tetramethylbutanoate

C10H20O3 — CID 118260295

IUPACmethyl (4R)-4-deuterio-4-methoxy-2,2,3,3-tetramethylbutanoate
SMILES[2H][C@@H](OC)C(C)(C)C(C)(C)C(=O)OC
InChIInChI=1S/C10H20O3/c1-9(2,7-12-5)10(3,4)8(11)13-6/h7H2,1-6H3/i7D/t7-/m1/s1
InChIKeyCHCXLUMULXBINS-ZVGOLAHJSA-N
MW189.27 g/mol
LogP1.86
Rot. Bonds4

About methyl (4R)-4-deuterio-4-methoxy-2,2,3,3-tetramethylbutanoate

methyl (4R)-4-deuterio-4-methoxy-2,2,3,3-tetramethylbutanoate (PubChem CID 118260295) has the molecular formula C10H20O3 and a molecular weight of 189.27 g/mol. Its IUPAC name is methyl (4R)-4-deuterio-4-methoxy-2,2,3,3-tetramethylbutanoate.

Molecular Properties

Compound Namemethyl (4R)-4-deuterio-4-methoxy-2,2,3,3-tetramethylbutanoate
PubChem CID118260295
Molecular FormulaC10H20O3
Molecular Weight189.27 g/mol
Exact Mass189.15
IUPAC Namemethyl (4R)-4-deuterio-4-methoxy-2,2,3,3-tetramethylbutanoate
SMILES[2H][C@@H](OC)C(C)(C)C(C)(C)C(=O)OC
InChIInChI=1S/C10H20O3/c1-9(2,7-12-5)10(3,4)8(11)13-6/h7H2,1-6H3/i7D/t7-/m1/s1
InChIKeyCHCXLUMULXBINS-ZVGOLAHJSA-N
XLogP1.86
TPSA35.53 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500189.27
LogP ≤ 51.86
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

dimethyl 2-hydroxy-2,3,3-trimethylbutanedioate
CID 11390086
methyl 3-[(3-methoxy-2,2-dimethyl-3-oxopropyl)diazenyl]-2,2-dimethylpropanoate
CID 141343255
methyl (2R)-2-amino-3-methoxy-2-methylpropanoate
CID 45086680
methyl 2-tert-butyl-2-(methoxymethyl)-3,3-dimethylbutanoate
CID 87162780
methyl 3-acetamido-2,2,3-trimethylbutanoate
CID 21299733
dimethyl 2-(2-bromo-1,1-dideuterioprop-2-enyl)-2-methylpropanedioate
CID 101367116
methyl 2-(chloromethyl)-3-methoxy-2-methylpropanoate
CID 14093553
methane;methyl 2-ethyl-2,3,3-trimethylpentanoate
CID 161314197
methyl 2-methyl-2-(2-methylhydrazinyl)propanoate
CID 166887564
methane;methyl 2,2-dimethylbutanoate
CID 161256043
dimethyl 2-iodo-2-methylpropanedioate
CID 23080719
methyl 2-tert-butyl-2,3,3-trimethylbutanoate
CID 12696477

Frequently Asked Questions

What is the IUPAC name of methyl (4R)-4-deuterio-4-methoxy-2,2,3,3-tetramethylbutanoate?
The IUPAC name of methyl (4R)-4-deuterio-4-methoxy-2,2,3,3-tetramethylbutanoate (CID 118260295) is methyl (4R)-4-deuterio-4-methoxy-2,2,3,3-tetramethylbutanoate.
What is the SMILES notation for methyl (4R)-4-deuterio-4-methoxy-2,2,3,3-tetramethylbutanoate?
The canonical SMILES for methyl (4R)-4-deuterio-4-methoxy-2,2,3,3-tetramethylbutanoate is [2H][C@@H](OC)C(C)(C)C(C)(C)C(=O)OC.
What is the InChIKey of methyl (4R)-4-deuterio-4-methoxy-2,2,3,3-tetramethylbutanoate?
The InChIKey is CHCXLUMULXBINS-ZVGOLAHJSA-N. The full InChI is InChI=1S/C10H20O3/c1-9(2,7-12-5)10(3,4)8(11)13-6/h7H2,1-6H3/i7D/t7-/m1/s1.
What are the key properties of methyl (4R)-4-deuterio-4-methoxy-2,2,3,3-tetramethylbutanoate?
methyl (4R)-4-deuterio-4-methoxy-2,2,3,3-tetramethylbutanoate has a molecular weight of 189.27 g/mol, XLogP of 1.86, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for methyl (4R)-4-deuterio-4-methoxy-2,2,3,3-tetramethylbutanoate is sourced from PubChem (CID 118260295), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).