tert-butyl 2-[(4R,6S)-2,2-dimethyl-6-[(2S,3S)-3-trimethylsilyloxiran-2-yl]-1,3-dioxan-4-yl]acetate

C17H32O5Si — CID 11002453

IUPACtert-butyl 2-[(4R,6S)-2,2-dimethyl-6-[(2S,3S)-3-trimethylsilyloxiran-2-yl]-1,3-dioxan-4-yl]acetate
SMILESCC(C)(C)OC(=O)C[C@H]1C[C@@H]([C@@H]2O[C@H]2[Si](C)(C)C)OC(C)(C)O1
InChIInChI=1S/C17H32O5Si/c1-16(2,3)22-13(18)10-11-9-12(21-17(4,5)20-11)14-15(19-14)23(6,7)8/h11-12,14-15H,9-10H2,1-8H3/t11-,12+,14+,15+/m1/s1
InChIKeyPCLOHNKXSGSSMI-DHMWGJHJSA-N
MW344.52 g/mol
LogP3.27
Rot. Bonds4

About tert-butyl 2-[(4R,6S)-2,2-dimethyl-6-[(2S,3S)-3-trimethylsilyloxiran-2-yl]-1,3-dioxan-4-yl]acetate

tert-butyl 2-[(4R,6S)-2,2-dimethyl-6-[(2S,3S)-3-trimethylsilyloxiran-2-yl]-1,3-dioxan-4-yl]acetate (PubChem CID 11002453) has the molecular formula C17H32O5Si and a molecular weight of 344.52 g/mol. Its IUPAC name is tert-butyl 2-[(4R,6S)-2,2-dimethyl-6-[(2S,3S)-3-trimethylsilyloxiran-2-yl]-1,3-dioxan-4-yl]acetate.

Molecular Properties

Compound Nametert-butyl 2-[(4R,6S)-2,2-dimethyl-6-[(2S,3S)-3-trimethylsilyloxiran-2-yl]-1,3-dioxan-4-yl]acetate
PubChem CID11002453
Molecular FormulaC17H32O5Si
Molecular Weight344.52 g/mol
Exact Mass344.20
IUPAC Nametert-butyl 2-[(4R,6S)-2,2-dimethyl-6-[(2S,3S)-3-trimethylsilyloxiran-2-yl]-1,3-dioxan-4-yl]acetate
SMILESCC(C)(C)OC(=O)C[C@H]1C[C@@H]([C@@H]2O[C@H]2[Si](C)(C)C)OC(C)(C)O1
InChIInChI=1S/C17H32O5Si/c1-16(2,3)22-13(18)10-11-9-12(21-17(4,5)20-11)14-15(19-14)23(6,7)8/h11-12,14-15H,9-10H2,1-8H3/t11-,12+,14+,15+/m1/s1
InChIKeyPCLOHNKXSGSSMI-DHMWGJHJSA-N
XLogP3.27
TPSA57.29 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500344.52
LogP ≤ 53.27
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Launch Full Analysis

Related Compounds

propan-2-yl (2S,3R)-2,3-bis[[tert-butyl(dimethyl)silyl]oxy]-3-[(4S,6R)-2,2-dimethyl-6-[2-[(2-methylpropan-2-yl)oxy]-2-oxoethyl]-1,3-dioxan-4-yl]propanoate
CID 134990997
tert-butyl 2-[(4R,6S)-2,2-dimethyl-6-[(2S,3R)-3-trimethylsilyloxiran-2-yl]-1,3-dioxan-4-yl]acetate
CID 134937077
(4S,6S)-6-((2S,4S)-2,4-bis(Methoxymethoxy)pentyl)-4-((tert-butyldimethylsilyl)oxy)tetrahydro-2H-pyran-2-one
CID 145864775
tert-butyl (3S)-3-[tert-butyl(dimethyl)silyl]oxy-4-[(2S)-6-oxooxan-2-yl]butanoate
CID 59012142
Tert-butyl 3-[tert-butyl(dimethyl)silyl]oxy-4-(6-oxooxan-2-yl)butanoate
CID 68768920
tert-butyl (3R)-3-[tert-butyl(dimethyl)silyl]oxy-4-[(2S)-6-oxooxan-2-yl]butanoate
CID 70824205
methyl 2-[(4R,6S)-6-[[tert-butyl(dimethyl)silyl]oxymethyl]-2,2-dimethyl-1,3-dioxan-4-yl]acetate
CID 90854931
(6S,8S,9S,10S)-9,10-bis[[tert-butyl(dimethyl)silyl]oxy]-8-methyl-1,7-dioxaspiro[5.5]undecan-2-one
CID 10527289
methyl 2-[(4S,6S)-6-[2-[tert-butyl(dimethyl)silyl]oxyethyl]-2,2-dimethyl-1,3-dioxan-4-yl]acetate
CID 10593720
tert-butyl (3R)-3-[tert-butyl(dimethyl)silyl]oxy-4-[(4S)-2,2-dimethyl-1,3-dioxolan-4-yl]butanoate
CID 10595600
methyl 2-[(4R,6S)-6-[(2R)-5-acetyloxy-2-[tert-butyl(dimethyl)silyl]oxypentyl]-2,2-dimethyl-1,3-dioxan-4-yl]acetate
CID 10873985
(4R,5S,6S)-4,5-bis[[tert-butyl(dimethyl)silyl]oxy]-6-[2-[tert-butyl(dimethyl)silyl]oxyethyl]oxan-2-one
CID 11226143

Frequently Asked Questions

What is the IUPAC name of tert-butyl 2-[(4R,6S)-2,2-dimethyl-6-[(2S,3S)-3-trimethylsilyloxiran-2-yl]-1,3-dioxan-4-yl]acetate?
The IUPAC name of tert-butyl 2-[(4R,6S)-2,2-dimethyl-6-[(2S,3S)-3-trimethylsilyloxiran-2-yl]-1,3-dioxan-4-yl]acetate (CID 11002453) is tert-butyl 2-[(4R,6S)-2,2-dimethyl-6-[(2S,3S)-3-trimethylsilyloxiran-2-yl]-1,3-dioxan-4-yl]acetate.
What is the SMILES notation for tert-butyl 2-[(4R,6S)-2,2-dimethyl-6-[(2S,3S)-3-trimethylsilyloxiran-2-yl]-1,3-dioxan-4-yl]acetate?
The canonical SMILES for tert-butyl 2-[(4R,6S)-2,2-dimethyl-6-[(2S,3S)-3-trimethylsilyloxiran-2-yl]-1,3-dioxan-4-yl]acetate is CC(C)(C)OC(=O)C[C@H]1C[C@@H]([C@@H]2O[C@H]2[Si](C)(C)C)OC(C)(C)O1.
What is the InChIKey of tert-butyl 2-[(4R,6S)-2,2-dimethyl-6-[(2S,3S)-3-trimethylsilyloxiran-2-yl]-1,3-dioxan-4-yl]acetate?
The InChIKey is PCLOHNKXSGSSMI-DHMWGJHJSA-N. The full InChI is InChI=1S/C17H32O5Si/c1-16(2,3)22-13(18)10-11-9-12(21-17(4,5)20-11)14-15(19-14)23(6,7)8/h11-12,14-15H,9-10H2,1-8H3/t11-,12+,14+,15+/m1/s1.
What are the key properties of tert-butyl 2-[(4R,6S)-2,2-dimethyl-6-[(2S,3S)-3-trimethylsilyloxiran-2-yl]-1,3-dioxan-4-yl]acetate?
tert-butyl 2-[(4R,6S)-2,2-dimethyl-6-[(2S,3S)-3-trimethylsilyloxiran-2-yl]-1,3-dioxan-4-yl]acetate has a molecular weight of 344.52 g/mol, XLogP of 3.27, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl 2-[(4R,6S)-2,2-dimethyl-6-[(2S,3S)-3-trimethylsilyloxiran-2-yl]-1,3-dioxan-4-yl]acetate is sourced from PubChem (CID 11002453), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).