methyl (3R,4R)-4-[tert-butyl(dimethyl)silyl]oxyoxolane-3-carboxylate

C12H24O4Si — CID 67078588

IUPACmethyl (3R,4R)-4-[tert-butyl(dimethyl)silyl]oxyoxolane-3-carboxylate
SMILESCOC(=O)[C@@H]1COC[C@@H]1O[Si](C)(C)C(C)(C)C
InChIInChI=1S/C12H24O4Si/c1-12(2,3)17(5,6)16-10-8-15-7-9(10)11(13)14-4/h9-10H,7-8H2,1-6H3/t9-,10+/m1/s1
InChIKeyDTCMCMBDKMXAEA-ZJUUUORDSA-N
MW260.41 g/mol
LogP2.20
Rot. Bonds3

About methyl (3R,4R)-4-[tert-butyl(dimethyl)silyl]oxyoxolane-3-carboxylate

methyl (3R,4R)-4-[tert-butyl(dimethyl)silyl]oxyoxolane-3-carboxylate (PubChem CID 67078588) has the molecular formula C12H24O4Si and a molecular weight of 260.41 g/mol. Its IUPAC name is methyl (3R,4R)-4-[tert-butyl(dimethyl)silyl]oxyoxolane-3-carboxylate.

Molecular Properties

Compound Namemethyl (3R,4R)-4-[tert-butyl(dimethyl)silyl]oxyoxolane-3-carboxylate
PubChem CID67078588
Molecular FormulaC12H24O4Si
Molecular Weight260.41 g/mol
Exact Mass260.14
IUPAC Namemethyl (3R,4R)-4-[tert-butyl(dimethyl)silyl]oxyoxolane-3-carboxylate
SMILESCOC(=O)[C@@H]1COC[C@@H]1O[Si](C)(C)C(C)(C)C
InChIInChI=1S/C12H24O4Si/c1-12(2,3)17(5,6)16-10-8-15-7-9(10)11(13)14-4/h9-10H,7-8H2,1-6H3/t9-,10+/m1/s1
InChIKeyDTCMCMBDKMXAEA-ZJUUUORDSA-N
XLogP2.20
TPSA44.76 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500260.41
LogP ≤ 52.20
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

methyl (2S,3S)-3-[tert-butyl(dimethyl)silyl]oxyazetidine-2-carboxylate
CID 53302300
methyl (1R,2S,5S)-2-[tert-butyl(dimethyl)silyl]oxy-5-methylcyclopentane-1-carboxylate
CID 101092609
methyl (1R,2S,3R,4S)-4-[tert-butyl(dimethyl)silyl]oxy-3-[[tert-butyl(dimethyl)silyl]oxymethyl]-2-methylcyclopentane-1-carboxylate
CID 11015241
methyl (3aR,4R,6S,7S,7aR)-6,7-bis[[tert-butyl(dimethyl)silyl]oxy]-2,2-dimethyl-3a,4,5,6,7,7a-hexahydro-1,3-benzodioxole-4-carboxylate
CID 46188176
methyl (1S,2R,3R)-3-[tert-butyl(dimethyl)silyl]oxy-5-oxo-2-propan-2-ylcyclohexane-1-carboxylate
CID 102066665
methyl (1R,2R,3S)-3-[tert-butyl(dimethyl)silyl]oxy-2-methyl-5-oxocyclopentane-1-carboxylate
CID 11140705
methyl (1S,2R,5R)-2-amino-3-[tert-butyl(dimethyl)silyl]oxy-5-methylsulfonyloxycyclohexane-1-carboxylate
CID 58599575
methyl (1S,2R,3S)-3-[tert-butyl(dimethyl)silyl]oxy-5-oxo-2-prop-2-enylcyclohexane-1-carboxylate
CID 102066658
methyl 4-propyloxolane-3-carboxylate
CID 162735076
methyl (3aR,4S,6R,6aS)-6-[tert-butyl(dimethyl)silyl]oxy-2,2,3a-trimethyl-4,5,6,6a-tetrahydrocyclopenta[d][1,3]dioxole-4-carboxylate
CID 102392357
methyl (2S,3R,4S,5R)-3,4,5-tris[[tert-butyl(dimethyl)silyl]oxy]-6-hydroxyoxane-2-carboxylate
CID 166001717
methyl 2-[3,5-bis[[tert-butyl(dimethyl)silyl]oxy]-4-trimethylsilyloxycyclohexylidene]acetate
CID 11409489

Frequently Asked Questions

What is the IUPAC name of methyl (3R,4R)-4-[tert-butyl(dimethyl)silyl]oxyoxolane-3-carboxylate?
The IUPAC name of methyl (3R,4R)-4-[tert-butyl(dimethyl)silyl]oxyoxolane-3-carboxylate (CID 67078588) is methyl (3R,4R)-4-[tert-butyl(dimethyl)silyl]oxyoxolane-3-carboxylate.
What is the SMILES notation for methyl (3R,4R)-4-[tert-butyl(dimethyl)silyl]oxyoxolane-3-carboxylate?
The canonical SMILES for methyl (3R,4R)-4-[tert-butyl(dimethyl)silyl]oxyoxolane-3-carboxylate is COC(=O)[C@@H]1COC[C@@H]1O[Si](C)(C)C(C)(C)C.
What is the InChIKey of methyl (3R,4R)-4-[tert-butyl(dimethyl)silyl]oxyoxolane-3-carboxylate?
The InChIKey is DTCMCMBDKMXAEA-ZJUUUORDSA-N. The full InChI is InChI=1S/C12H24O4Si/c1-12(2,3)17(5,6)16-10-8-15-7-9(10)11(13)14-4/h9-10H,7-8H2,1-6H3/t9-,10+/m1/s1.
What are the key properties of methyl (3R,4R)-4-[tert-butyl(dimethyl)silyl]oxyoxolane-3-carboxylate?
methyl (3R,4R)-4-[tert-butyl(dimethyl)silyl]oxyoxolane-3-carboxylate has a molecular weight of 260.41 g/mol, XLogP of 2.20, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for methyl (3R,4R)-4-[tert-butyl(dimethyl)silyl]oxyoxolane-3-carboxylate is sourced from PubChem (CID 67078588), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).