3-O-tert-butyl 1-O-methyl 2-[[(2R,3R)-3-formyl-2-triethylsilyloxiran-2-yl]methyl]propanedioate

C18H32O6Si — CID 101358012

IUPAC3-O-tert-butyl 1-O-methyl 2-[[(2R,3R)-3-formyl-2-triethylsilyloxiran-2-yl]methyl]propanedioate
SMILESCC[Si](CC)(CC)[C@@]1(CC(C(=O)OC)C(=O)OC(C)(C)C)O[C@@H]1C=O
InChIInChI=1S/C18H32O6Si/c1-8-25(9-2,10-3)18(14(12-19)23-18)11-13(15(20)22-7)16(21)24-17(4,5)6/h12-14H,8-11H2,1-7H3/t13?,14-,18-/m1/s1
InChIKeyOYOILRVWCWXGIW-JDPNFYKBSA-N
MW372.53 g/mol
LogP2.89
Rot. Bonds9

About 3-O-tert-butyl 1-O-methyl 2-[[(2R,3R)-3-formyl-2-triethylsilyloxiran-2-yl]methyl]propanedioate

3-O-tert-butyl 1-O-methyl 2-[[(2R,3R)-3-formyl-2-triethylsilyloxiran-2-yl]methyl]propanedioate (PubChem CID 101358012) has the molecular formula C18H32O6Si and a molecular weight of 372.53 g/mol. Its IUPAC name is 3-O-tert-butyl 1-O-methyl 2-[[(2R,3R)-3-formyl-2-triethylsilyloxiran-2-yl]methyl]propanedioate.

Molecular Properties

Compound Name3-O-tert-butyl 1-O-methyl 2-[[(2R,3R)-3-formyl-2-triethylsilyloxiran-2-yl]methyl]propanedioate
PubChem CID101358012
Molecular FormulaC18H32O6Si
Molecular Weight372.53 g/mol
Exact Mass372.20
IUPAC Name3-O-tert-butyl 1-O-methyl 2-[[(2R,3R)-3-formyl-2-triethylsilyloxiran-2-yl]methyl]propanedioate
SMILESCC[Si](CC)(CC)[C@@]1(CC(C(=O)OC)C(=O)OC(C)(C)C)O[C@@H]1C=O
InChIInChI=1S/C18H32O6Si/c1-8-25(9-2,10-3)18(14(12-19)23-18)11-13(15(20)22-7)16(21)24-17(4,5)6/h12-14H,8-11H2,1-7H3/t13?,14-,18-/m1/s1
InChIKeyOYOILRVWCWXGIW-JDPNFYKBSA-N
XLogP2.89
TPSA82.20 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds9
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500372.53
LogP ≤ 52.89
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aldehyde', 'substructure': 'N/A'}, {'alert_name': 'beta-keto/anhydride', 'substructure': 'N/A'}, {'alert_name': 'heavy_metal', 'substructure': 'N/A'}, {'alert_name': 'Three-membered_heterocycle', 'substructure': 'N/A'}

Analyze 3-O-tert-butyl 1-O-methyl 2-[[(2R,3R)-3-formyl-2-triethylsilyloxiran-2-yl]methyl]propanedioate with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

3-O,3-O-ditert-butyl 1-O,1-O-dimethyl propane-1,1,3,3-tetracarboxylate
CID 141234633
3-O-tert-butyl 1-O-methyl 2-[(E)-4-acetyloxy-2-triethylsilylbut-2-enyl]propanedioate
CID 101358007
3-O-tert-butyl 1-O-methyl 2-(3-amino-3-hydroxypropyl)propanedioate
CID 174531674
1-O,1-O-ditert-butyl 2-O-methyl ethane-1,1,2-tricarboxylate
CID 13042474
4-O-tert-butyl 1-O-methyl (2S,3R)-2,3-bis(trimethylsilyl)butanedioate
CID 10640362
1-O-tert-butyl 1-O,3-O-dimethyl (3S)-3-[(2-methylpropan-2-yl)oxycarbonylamino]propane-1,1,3-tricarboxylate
CID 11440260
3-O-tert-butyl 1-O-methyl (2S)-2-(7-bromoheptyl)propanedioate
CID 129387790
ditert-butyl methyl methanetricarboxylate
CID 45278404
tert-butyl 2-ethyl-3-oxobutanoate;dimethylphosphane
CID 174607733
3-O-tert-butyl 1-O-methyl (2S)-2-methylpropanedioate
CID 91757639
tert-butyl (2R)-2-aminobutanoate
CID 13283520
tert-butyl (2R)-2-formyloxypentanoate
CID 91501739

Frequently Asked Questions

What is the IUPAC name of 3-O-tert-butyl 1-O-methyl 2-[[(2R,3R)-3-formyl-2-triethylsilyloxiran-2-yl]methyl]propanedioate?
The IUPAC name of 3-O-tert-butyl 1-O-methyl 2-[[(2R,3R)-3-formyl-2-triethylsilyloxiran-2-yl]methyl]propanedioate (CID 101358012) is 3-O-tert-butyl 1-O-methyl 2-[[(2R,3R)-3-formyl-2-triethylsilyloxiran-2-yl]methyl]propanedioate.
What is the SMILES notation for 3-O-tert-butyl 1-O-methyl 2-[[(2R,3R)-3-formyl-2-triethylsilyloxiran-2-yl]methyl]propanedioate?
The canonical SMILES for 3-O-tert-butyl 1-O-methyl 2-[[(2R,3R)-3-formyl-2-triethylsilyloxiran-2-yl]methyl]propanedioate is CC[Si](CC)(CC)[C@@]1(CC(C(=O)OC)C(=O)OC(C)(C)C)O[C@@H]1C=O.
What is the InChIKey of 3-O-tert-butyl 1-O-methyl 2-[[(2R,3R)-3-formyl-2-triethylsilyloxiran-2-yl]methyl]propanedioate?
The InChIKey is OYOILRVWCWXGIW-JDPNFYKBSA-N. The full InChI is InChI=1S/C18H32O6Si/c1-8-25(9-2,10-3)18(14(12-19)23-18)11-13(15(20)22-7)16(21)24-17(4,5)6/h12-14H,8-11H2,1-7H3/t13?,14-,18-/m1/s1.
What are the key properties of 3-O-tert-butyl 1-O-methyl 2-[[(2R,3R)-3-formyl-2-triethylsilyloxiran-2-yl]methyl]propanedioate?
3-O-tert-butyl 1-O-methyl 2-[[(2R,3R)-3-formyl-2-triethylsilyloxiran-2-yl]methyl]propanedioate has a molecular weight of 372.53 g/mol, XLogP of 2.89, 9 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-O-tert-butyl 1-O-methyl 2-[[(2R,3R)-3-formyl-2-triethylsilyloxiran-2-yl]methyl]propanedioate is sourced from PubChem (CID 101358012), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).