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

C16H30O4Si — CID 102523565

IUPACethyl (2S,3S,6S)-4-[tert-butyl(dimethyl)silyl]oxy-3,6-dimethyl-3,6-dihydro-2H-pyran-2-carboxylate
SMILESCCOC(=O)[C@H]1O[C@@H](C)C=C(O[Si](C)(C)C(C)(C)C)[C@H]1C
InChIInChI=1S/C16H30O4Si/c1-9-18-15(17)14-12(3)13(10-11(2)19-14)20-21(7,8)16(4,5)6/h10-12,14H,9H2,1-8H3/t11-,12+,14-/m0/s1
InChIKeyOQIWUWXUHPZSEE-SCRDCRAPSA-N
MW314.50 g/mol
LogP3.88
Rot. Bonds4

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

ethyl (2S,3S,6S)-4-[tert-butyl(dimethyl)silyl]oxy-3,6-dimethyl-3,6-dihydro-2H-pyran-2-carboxylate (PubChem CID 102523565) has the molecular formula C16H30O4Si and a molecular weight of 314.50 g/mol. Its IUPAC name is ethyl (2S,3S,6S)-4-[tert-butyl(dimethyl)silyl]oxy-3,6-dimethyl-3,6-dihydro-2H-pyran-2-carboxylate.

Molecular Properties

Compound Nameethyl (2S,3S,6S)-4-[tert-butyl(dimethyl)silyl]oxy-3,6-dimethyl-3,6-dihydro-2H-pyran-2-carboxylate
PubChem CID102523565
Molecular FormulaC16H30O4Si
Molecular Weight314.50 g/mol
Exact Mass314.19
IUPAC Nameethyl (2S,3S,6S)-4-[tert-butyl(dimethyl)silyl]oxy-3,6-dimethyl-3,6-dihydro-2H-pyran-2-carboxylate
SMILESCCOC(=O)[C@H]1O[C@@H](C)C=C(O[Si](C)(C)C(C)(C)C)[C@H]1C
InChIInChI=1S/C16H30O4Si/c1-9-18-15(17)14-12(3)13(10-11(2)19-14)20-21(7,8)16(4,5)6/h10-12,14H,9H2,1-8H3/t11-,12+,14-/m0/s1
InChIKeyOQIWUWXUHPZSEE-SCRDCRAPSA-N
XLogP3.88
TPSA44.76 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500314.50
LogP ≤ 53.88
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of ethyl (2S,3S,6S)-4-[tert-butyl(dimethyl)silyl]oxy-3,6-dimethyl-3,6-dihydro-2H-pyran-2-carboxylate?
The IUPAC name of ethyl (2S,3S,6S)-4-[tert-butyl(dimethyl)silyl]oxy-3,6-dimethyl-3,6-dihydro-2H-pyran-2-carboxylate (CID 102523565) is ethyl (2S,3S,6S)-4-[tert-butyl(dimethyl)silyl]oxy-3,6-dimethyl-3,6-dihydro-2H-pyran-2-carboxylate.
What is the SMILES notation for ethyl (2S,3S,6S)-4-[tert-butyl(dimethyl)silyl]oxy-3,6-dimethyl-3,6-dihydro-2H-pyran-2-carboxylate?
The canonical SMILES for ethyl (2S,3S,6S)-4-[tert-butyl(dimethyl)silyl]oxy-3,6-dimethyl-3,6-dihydro-2H-pyran-2-carboxylate is CCOC(=O)[C@H]1O[C@@H](C)C=C(O[Si](C)(C)C(C)(C)C)[C@H]1C.
What is the InChIKey of ethyl (2S,3S,6S)-4-[tert-butyl(dimethyl)silyl]oxy-3,6-dimethyl-3,6-dihydro-2H-pyran-2-carboxylate?
The InChIKey is OQIWUWXUHPZSEE-SCRDCRAPSA-N. The full InChI is InChI=1S/C16H30O4Si/c1-9-18-15(17)14-12(3)13(10-11(2)19-14)20-21(7,8)16(4,5)6/h10-12,14H,9H2,1-8H3/t11-,12+,14-/m0/s1.
What are the key properties of ethyl (2S,3S,6S)-4-[tert-butyl(dimethyl)silyl]oxy-3,6-dimethyl-3,6-dihydro-2H-pyran-2-carboxylate?
ethyl (2S,3S,6S)-4-[tert-butyl(dimethyl)silyl]oxy-3,6-dimethyl-3,6-dihydro-2H-pyran-2-carboxylate has a molecular weight of 314.50 g/mol, XLogP of 3.88, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl (2S,3S,6S)-4-[tert-butyl(dimethyl)silyl]oxy-3,6-dimethyl-3,6-dihydro-2H-pyran-2-carboxylate is sourced from PubChem (CID 102523565), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).