ethyl (2R,4R,6R)-4-[tert-butyl(dimethyl)silyl]oxy-6-[(4R)-2,2-dimethyl-1,3-dioxolan-4-yl]-5-oxooxane-2-carboxylate

C19H34O7Si — CID 10716123

IUPACethyl (2R,4R,6R)-4-[tert-butyl(dimethyl)silyl]oxy-6-[(4R)-2,2-dimethyl-1,3-dioxolan-4-yl]-5-oxooxane-2-carboxylate
SMILESCCOC(=O)[C@H]1C[C@@H](O[Si](C)(C)C(C)(C)C)C(=O)[C@@H]([C@H]2COC(C)(C)O2)O1
InChIInChI=1S/C19H34O7Si/c1-9-22-17(21)13-10-12(26-27(7,8)18(2,3)4)15(20)16(24-13)14-11-23-19(5,6)25-14/h12-14,16H,9-11H2,1-8H3/t12-,13-,14-,16-/m1/s1
InChIKeyHCSPBYIPZBGYFK-IXYNUQLISA-N
MW402.56 g/mol
LogP2.82
Rot. Bonds5

About ethyl (2R,4R,6R)-4-[tert-butyl(dimethyl)silyl]oxy-6-[(4R)-2,2-dimethyl-1,3-dioxolan-4-yl]-5-oxooxane-2-carboxylate

ethyl (2R,4R,6R)-4-[tert-butyl(dimethyl)silyl]oxy-6-[(4R)-2,2-dimethyl-1,3-dioxolan-4-yl]-5-oxooxane-2-carboxylate (PubChem CID 10716123) has the molecular formula C19H34O7Si and a molecular weight of 402.56 g/mol. Its IUPAC name is ethyl (2R,4R,6R)-4-[tert-butyl(dimethyl)silyl]oxy-6-[(4R)-2,2-dimethyl-1,3-dioxolan-4-yl]-5-oxooxane-2-carboxylate.

Molecular Properties

Compound Nameethyl (2R,4R,6R)-4-[tert-butyl(dimethyl)silyl]oxy-6-[(4R)-2,2-dimethyl-1,3-dioxolan-4-yl]-5-oxooxane-2-carboxylate
PubChem CID10716123
Molecular FormulaC19H34O7Si
Molecular Weight402.56 g/mol
Exact Mass402.21
IUPAC Nameethyl (2R,4R,6R)-4-[tert-butyl(dimethyl)silyl]oxy-6-[(4R)-2,2-dimethyl-1,3-dioxolan-4-yl]-5-oxooxane-2-carboxylate
SMILESCCOC(=O)[C@H]1C[C@@H](O[Si](C)(C)C(C)(C)C)C(=O)[C@@H]([C@H]2COC(C)(C)O2)O1
InChIInChI=1S/C19H34O7Si/c1-9-22-17(21)13-10-12(26-27(7,8)18(2,3)4)15(20)16(24-13)14-11-23-19(5,6)25-14/h12-14,16H,9-11H2,1-8H3/t12-,13-,14-,16-/m1/s1
InChIKeyHCSPBYIPZBGYFK-IXYNUQLISA-N
XLogP2.82
TPSA80.29 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500402.56
LogP ≤ 52.82
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

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

Analyze ethyl (2R,4R,6R)-4-[tert-butyl(dimethyl)silyl]oxy-6-[(4R)-2,2-dimethyl-1,3-dioxolan-4-yl]-5-oxooxane-2-carboxylate with MolForge

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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
methyl 2-[(2S,5R,6R)-5-[tert-butyl(dimethyl)silyl]oxy-6-[[tert-butyl(dimethyl)silyl]oxymethyl]-4-oxooxan-2-yl]acetate
CID 134959796
(4r,5s)-Ethyl 5-[(s)-3-(t-butyldimethylsilyloxy)butyl]-2,2-dimethyl-1,3-dioxolane-4-carboxylate
CID 129843423
(3R,4R)-3,4-bis(triethylsilyloxy)-1,10-dioxaspiro[4.5]decan-2-one
CID 138983144
ethyl (2R,4R,5R,6S)-4-[tert-butyl(dimethyl)silyl]oxy-6-[(4R)-2,2-dimethyl-1,3-dioxolan-4-yl]-5-hydroxyoxane-2-carboxylate
CID 10549228
methyl (4S)-4-[tert-butyl(dimethyl)silyl]oxy-4-[(2R,4S,5R)-5-[tert-butyl(dimethyl)silyl]oxy-2-methyl-1,3-dioxan-4-yl]-2-oxobutanoate
CID 11113551
methyl (4S)-4-[tert-butyl(dimethyl)silyl]oxy-4-[(4R)-2,2-dimethyl-1,3-dioxolan-4-yl]-2-oxobutanoate
CID 101161100
methyl 2-[(2S,6R)-5-[tert-butyl(dimethyl)silyl]oxy-6-[[tert-butyl(dimethyl)silyl]oxymethyl]-4-oxooxan-2-yl]acetate
CID 173794841
methyl 2-[(6S)-6-[3-[(1R,2S)-3-oxo-1-sulfanyloxy-2-triethylsilyloxypropyl]-1,4-dioxaspiro[4.5]decan-2-yl]oxan-2-yl]acetate
CID 173805815
(3aR,4R,7aR)-4-[(S)-[tert-butyl(dimethyl)silyl]oxy-[(4R)-2,2-diethyl-1,3-dioxolan-4-yl]methyl]-2,2-diethyl-4,7a-dihydro-3aH-[1,3]dioxolo[4,5-c]pyran-7-one
CID 10600525
ethyl (2R,4R,5S,6S)-4-[tert-butyl(dimethyl)silyl]oxy-6-[(4R)-2,2-dimethyl-1,3-dioxolan-4-yl]-5-hydroxyoxane-2-carboxylate
CID 10621262
[(3S,4R)-5-[tert-butyl(dimethyl)silyl]oxy-3,4-bis(methoxymethoxy)-2-oxopentyl] 3-oxodecanoate
CID 11071407

Frequently Asked Questions

What is the IUPAC name of ethyl (2R,4R,6R)-4-[tert-butyl(dimethyl)silyl]oxy-6-[(4R)-2,2-dimethyl-1,3-dioxolan-4-yl]-5-oxooxane-2-carboxylate?
The IUPAC name of ethyl (2R,4R,6R)-4-[tert-butyl(dimethyl)silyl]oxy-6-[(4R)-2,2-dimethyl-1,3-dioxolan-4-yl]-5-oxooxane-2-carboxylate (CID 10716123) is ethyl (2R,4R,6R)-4-[tert-butyl(dimethyl)silyl]oxy-6-[(4R)-2,2-dimethyl-1,3-dioxolan-4-yl]-5-oxooxane-2-carboxylate.
What is the SMILES notation for ethyl (2R,4R,6R)-4-[tert-butyl(dimethyl)silyl]oxy-6-[(4R)-2,2-dimethyl-1,3-dioxolan-4-yl]-5-oxooxane-2-carboxylate?
The canonical SMILES for ethyl (2R,4R,6R)-4-[tert-butyl(dimethyl)silyl]oxy-6-[(4R)-2,2-dimethyl-1,3-dioxolan-4-yl]-5-oxooxane-2-carboxylate is CCOC(=O)[C@H]1C[C@@H](O[Si](C)(C)C(C)(C)C)C(=O)[C@@H]([C@H]2COC(C)(C)O2)O1.
What is the InChIKey of ethyl (2R,4R,6R)-4-[tert-butyl(dimethyl)silyl]oxy-6-[(4R)-2,2-dimethyl-1,3-dioxolan-4-yl]-5-oxooxane-2-carboxylate?
The InChIKey is HCSPBYIPZBGYFK-IXYNUQLISA-N. The full InChI is InChI=1S/C19H34O7Si/c1-9-22-17(21)13-10-12(26-27(7,8)18(2,3)4)15(20)16(24-13)14-11-23-19(5,6)25-14/h12-14,16H,9-11H2,1-8H3/t12-,13-,14-,16-/m1/s1.
What are the key properties of ethyl (2R,4R,6R)-4-[tert-butyl(dimethyl)silyl]oxy-6-[(4R)-2,2-dimethyl-1,3-dioxolan-4-yl]-5-oxooxane-2-carboxylate?
ethyl (2R,4R,6R)-4-[tert-butyl(dimethyl)silyl]oxy-6-[(4R)-2,2-dimethyl-1,3-dioxolan-4-yl]-5-oxooxane-2-carboxylate has a molecular weight of 402.56 g/mol, XLogP of 2.82, 5 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl (2R,4R,6R)-4-[tert-butyl(dimethyl)silyl]oxy-6-[(4R)-2,2-dimethyl-1,3-dioxolan-4-yl]-5-oxooxane-2-carboxylate is sourced from PubChem (CID 10716123), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).