ethyl (2S,6R)-4-[tert-butyl(dimethyl)silyl]oxy-6-[(4R)-2,2-dimethyl-1,3-dioxolan-4-yl]-3,6-dihydro-2H-pyran-2-carboxylate

C19H34O6Si — CID 10810208

IUPACethyl (2S,6R)-4-[tert-butyl(dimethyl)silyl]oxy-6-[(4R)-2,2-dimethyl-1,3-dioxolan-4-yl]-3,6-dihydro-2H-pyran-2-carboxylate
SMILESCCOC(=O)[C@@H]1CC(O[Si](C)(C)C(C)(C)C)=C[C@H]([C@H]2COC(C)(C)O2)O1
InChIInChI=1S/C19H34O6Si/c1-9-21-17(20)15-11-13(25-26(7,8)18(2,3)4)10-14(23-15)16-12-22-19(5,6)24-16/h10,14-16H,9,11-12H2,1-8H3/t14-,15+,16-/m1/s1
InChIKeyNTGFBFTWPJLJSC-OWCLPIDISA-N
MW386.56 g/mol
LogP3.76
Rot. Bonds5

About ethyl (2S,6R)-4-[tert-butyl(dimethyl)silyl]oxy-6-[(4R)-2,2-dimethyl-1,3-dioxolan-4-yl]-3,6-dihydro-2H-pyran-2-carboxylate

ethyl (2S,6R)-4-[tert-butyl(dimethyl)silyl]oxy-6-[(4R)-2,2-dimethyl-1,3-dioxolan-4-yl]-3,6-dihydro-2H-pyran-2-carboxylate (PubChem CID 10810208) has the molecular formula C19H34O6Si and a molecular weight of 386.56 g/mol. Its IUPAC name is ethyl (2S,6R)-4-[tert-butyl(dimethyl)silyl]oxy-6-[(4R)-2,2-dimethyl-1,3-dioxolan-4-yl]-3,6-dihydro-2H-pyran-2-carboxylate.

Molecular Properties

Compound Nameethyl (2S,6R)-4-[tert-butyl(dimethyl)silyl]oxy-6-[(4R)-2,2-dimethyl-1,3-dioxolan-4-yl]-3,6-dihydro-2H-pyran-2-carboxylate
PubChem CID10810208
Molecular FormulaC19H34O6Si
Molecular Weight386.56 g/mol
Exact Mass386.21
IUPAC Nameethyl (2S,6R)-4-[tert-butyl(dimethyl)silyl]oxy-6-[(4R)-2,2-dimethyl-1,3-dioxolan-4-yl]-3,6-dihydro-2H-pyran-2-carboxylate
SMILESCCOC(=O)[C@@H]1CC(O[Si](C)(C)C(C)(C)C)=C[C@H]([C@H]2COC(C)(C)O2)O1
InChIInChI=1S/C19H34O6Si/c1-9-21-17(20)15-11-13(25-26(7,8)18(2,3)4)10-14(23-15)16-12-22-19(5,6)24-16/h10,14-16H,9,11-12H2,1-8H3/t14-,15+,16-/m1/s1
InChIKeyNTGFBFTWPJLJSC-OWCLPIDISA-N
XLogP3.76
TPSA63.22 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500386.56
LogP ≤ 53.76
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

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

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Frequently Asked Questions

What is the IUPAC name of ethyl (2S,6R)-4-[tert-butyl(dimethyl)silyl]oxy-6-[(4R)-2,2-dimethyl-1,3-dioxolan-4-yl]-3,6-dihydro-2H-pyran-2-carboxylate?
The IUPAC name of ethyl (2S,6R)-4-[tert-butyl(dimethyl)silyl]oxy-6-[(4R)-2,2-dimethyl-1,3-dioxolan-4-yl]-3,6-dihydro-2H-pyran-2-carboxylate (CID 10810208) is ethyl (2S,6R)-4-[tert-butyl(dimethyl)silyl]oxy-6-[(4R)-2,2-dimethyl-1,3-dioxolan-4-yl]-3,6-dihydro-2H-pyran-2-carboxylate.
What is the SMILES notation for ethyl (2S,6R)-4-[tert-butyl(dimethyl)silyl]oxy-6-[(4R)-2,2-dimethyl-1,3-dioxolan-4-yl]-3,6-dihydro-2H-pyran-2-carboxylate?
The canonical SMILES for ethyl (2S,6R)-4-[tert-butyl(dimethyl)silyl]oxy-6-[(4R)-2,2-dimethyl-1,3-dioxolan-4-yl]-3,6-dihydro-2H-pyran-2-carboxylate is CCOC(=O)[C@@H]1CC(O[Si](C)(C)C(C)(C)C)=C[C@H]([C@H]2COC(C)(C)O2)O1.
What is the InChIKey of ethyl (2S,6R)-4-[tert-butyl(dimethyl)silyl]oxy-6-[(4R)-2,2-dimethyl-1,3-dioxolan-4-yl]-3,6-dihydro-2H-pyran-2-carboxylate?
The InChIKey is NTGFBFTWPJLJSC-OWCLPIDISA-N. The full InChI is InChI=1S/C19H34O6Si/c1-9-21-17(20)15-11-13(25-26(7,8)18(2,3)4)10-14(23-15)16-12-22-19(5,6)24-16/h10,14-16H,9,11-12H2,1-8H3/t14-,15+,16-/m1/s1.
What are the key properties of ethyl (2S,6R)-4-[tert-butyl(dimethyl)silyl]oxy-6-[(4R)-2,2-dimethyl-1,3-dioxolan-4-yl]-3,6-dihydro-2H-pyran-2-carboxylate?
ethyl (2S,6R)-4-[tert-butyl(dimethyl)silyl]oxy-6-[(4R)-2,2-dimethyl-1,3-dioxolan-4-yl]-3,6-dihydro-2H-pyran-2-carboxylate has a molecular weight of 386.56 g/mol, XLogP of 3.76, 5 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl (2S,6R)-4-[tert-butyl(dimethyl)silyl]oxy-6-[(4R)-2,2-dimethyl-1,3-dioxolan-4-yl]-3,6-dihydro-2H-pyran-2-carboxylate is sourced from PubChem (CID 10810208), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).