methyl (4R,5S)-5-[[tert-butyl(dimethyl)silyl]oxymethyl]-2,2-dimethyl-1,3-dioxolane-4-carboxylate

C14H28O5Si — CID 10335211

IUPACmethyl (4R,5S)-5-[[tert-butyl(dimethyl)silyl]oxymethyl]-2,2-dimethyl-1,3-dioxolane-4-carboxylate
SMILESCOC(=O)[C@@H]1OC(C)(C)O[C@H]1CO[Si](C)(C)C(C)(C)C
InChIInChI=1S/C14H28O5Si/c1-13(2,3)20(7,8)17-9-10-11(12(15)16-6)19-14(4,5)18-10/h10-11H,9H2,1-8H3/t10-,11+/m0/s1
InChIKeyYGIMNJKRNXYAQW-WDEREUQCSA-N
MW304.46 g/mol
LogP2.70
Rot. Bonds4

About methyl (4R,5S)-5-[[tert-butyl(dimethyl)silyl]oxymethyl]-2,2-dimethyl-1,3-dioxolane-4-carboxylate

methyl (4R,5S)-5-[[tert-butyl(dimethyl)silyl]oxymethyl]-2,2-dimethyl-1,3-dioxolane-4-carboxylate (PubChem CID 10335211) has the molecular formula C14H28O5Si and a molecular weight of 304.46 g/mol. Its IUPAC name is methyl (4R,5S)-5-[[tert-butyl(dimethyl)silyl]oxymethyl]-2,2-dimethyl-1,3-dioxolane-4-carboxylate.

Molecular Properties

Compound Namemethyl (4R,5S)-5-[[tert-butyl(dimethyl)silyl]oxymethyl]-2,2-dimethyl-1,3-dioxolane-4-carboxylate
PubChem CID10335211
Molecular FormulaC14H28O5Si
Molecular Weight304.46 g/mol
Exact Mass304.17
IUPAC Namemethyl (4R,5S)-5-[[tert-butyl(dimethyl)silyl]oxymethyl]-2,2-dimethyl-1,3-dioxolane-4-carboxylate
SMILESCOC(=O)[C@@H]1OC(C)(C)O[C@H]1CO[Si](C)(C)C(C)(C)C
InChIInChI=1S/C14H28O5Si/c1-13(2,3)20(7,8)17-9-10-11(12(15)16-6)19-14(4,5)18-10/h10-11H,9H2,1-8H3/t10-,11+/m0/s1
InChIKeyYGIMNJKRNXYAQW-WDEREUQCSA-N
XLogP2.70
TPSA53.99 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500304.46
LogP ≤ 52.70
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

(3aR,6R,6aR)-6-(((tert-butyldimethylsilyl)oxy)methyl)-2,2-dimethyl-tetrahydro-2H-furo(3,4-d)(1,3)dioxol-4-one
CID 10913693
(4S,5S)-5-[[tert-butyl(dimethyl)silyl]oxymethyl]-2,2-dimethyl-1,3-dioxolane-4-carbaldehyde
CID 14283028
methyl (2S,3R)-3-[[tert-butyl(dimethyl)silyl]oxymethyl]oxirane-2-carboxylate
CID 10105987
(4R,5S)-5-[[tert-butyl(dimethyl)silyl]oxymethyl]-2,2-dimethyl-1,3-dioxolane-4-carbaldehyde
CID 10401143
methyl (4S,5R)-5-[[tert-butyl(dimethyl)silyl]oxymethyl]-2,2-dimethyl-1,3-dioxolane-4-carboxylate
CID 14414632
Methyl 3,4-O-isopropylidene-L-threonate, TMS derivative
CID 91701873
Methyl 2-(2,2-dimethyl-1,3-dioxolan-4-yl)-2-(ethoxycarbonyloxy)acetate
CID 91738411
(4S,5R)-5-[[tert-butyl(dimethyl)silyl]oxymethyl]-2,2-dimethyl-1,3-dioxolane-4-carbaldehyde
CID 11778119
5-O-tert-Butyldimethylsilyl-2,3-O-isopropylidene-L-lyxono-1,4-lactone
CID 102602656
2-[tert-butyl(dimethyl)silyl]oxy-1-[(4S)-2,2-dimethyl-1,3-dioxolan-4-yl]ethanone
CID 11033068
(3aR,7R,7aS)-7-[tert-butyl(dimethyl)silyl]oxy-2,2-dimethyl-3a,6,7,7a-tetrahydro-[1,3]dioxolo[4,5-c]pyran-4-one
CID 14374536
(3R,4S)-3,4-bis((tert-butyldimethylsilyl)oxy)dihydrofuran-2(3H)-one
CID 15662803

Frequently Asked Questions

What is the IUPAC name of methyl (4R,5S)-5-[[tert-butyl(dimethyl)silyl]oxymethyl]-2,2-dimethyl-1,3-dioxolane-4-carboxylate?
The IUPAC name of methyl (4R,5S)-5-[[tert-butyl(dimethyl)silyl]oxymethyl]-2,2-dimethyl-1,3-dioxolane-4-carboxylate (CID 10335211) is methyl (4R,5S)-5-[[tert-butyl(dimethyl)silyl]oxymethyl]-2,2-dimethyl-1,3-dioxolane-4-carboxylate.
What is the SMILES notation for methyl (4R,5S)-5-[[tert-butyl(dimethyl)silyl]oxymethyl]-2,2-dimethyl-1,3-dioxolane-4-carboxylate?
The canonical SMILES for methyl (4R,5S)-5-[[tert-butyl(dimethyl)silyl]oxymethyl]-2,2-dimethyl-1,3-dioxolane-4-carboxylate is COC(=O)[C@@H]1OC(C)(C)O[C@H]1CO[Si](C)(C)C(C)(C)C.
What is the InChIKey of methyl (4R,5S)-5-[[tert-butyl(dimethyl)silyl]oxymethyl]-2,2-dimethyl-1,3-dioxolane-4-carboxylate?
The InChIKey is YGIMNJKRNXYAQW-WDEREUQCSA-N. The full InChI is InChI=1S/C14H28O5Si/c1-13(2,3)20(7,8)17-9-10-11(12(15)16-6)19-14(4,5)18-10/h10-11H,9H2,1-8H3/t10-,11+/m0/s1.
What are the key properties of methyl (4R,5S)-5-[[tert-butyl(dimethyl)silyl]oxymethyl]-2,2-dimethyl-1,3-dioxolane-4-carboxylate?
methyl (4R,5S)-5-[[tert-butyl(dimethyl)silyl]oxymethyl]-2,2-dimethyl-1,3-dioxolane-4-carboxylate has a molecular weight of 304.46 g/mol, XLogP of 2.70, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for methyl (4R,5S)-5-[[tert-butyl(dimethyl)silyl]oxymethyl]-2,2-dimethyl-1,3-dioxolane-4-carboxylate is sourced from PubChem (CID 10335211), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).