[(2R,3R,6R)-2-[[tert-butyl(dimethyl)silyl]oxymethyl]-6-prop-2-enyl-3,6-dihydro-2H-pyran-3-yl] propanoate

C18H32O4Si — CID 10871545

IUPAC[(2R,3R,6R)-2-[[tert-butyl(dimethyl)silyl]oxymethyl]-6-prop-2-enyl-3,6-dihydro-2H-pyran-3-yl] propanoate
SMILESC=CC[C@@H]1C=C[C@@H](OC(=O)CC)[C@@H](CO[Si](C)(C)C(C)(C)C)O1
InChIInChI=1S/C18H32O4Si/c1-8-10-14-11-12-15(22-17(19)9-2)16(21-14)13-20-23(6,7)18(3,4)5/h8,11-12,14-16H,1,9-10,13H2,2-7H3/t14-,15-,16-/m1/s1
InChIKeyJZTJRFNLURKBOJ-BZUAXINKSA-N
MW340.54 g/mol
LogP4.23
Rot. Bonds7

About [(2R,3R,6R)-2-[[tert-butyl(dimethyl)silyl]oxymethyl]-6-prop-2-enyl-3,6-dihydro-2H-pyran-3-yl] propanoate

[(2R,3R,6R)-2-[[tert-butyl(dimethyl)silyl]oxymethyl]-6-prop-2-enyl-3,6-dihydro-2H-pyran-3-yl] propanoate (PubChem CID 10871545) has the molecular formula C18H32O4Si and a molecular weight of 340.54 g/mol. Its IUPAC name is [(2R,3R,6R)-2-[[tert-butyl(dimethyl)silyl]oxymethyl]-6-prop-2-enyl-3,6-dihydro-2H-pyran-3-yl] propanoate.

Molecular Properties

Compound Name[(2R,3R,6R)-2-[[tert-butyl(dimethyl)silyl]oxymethyl]-6-prop-2-enyl-3,6-dihydro-2H-pyran-3-yl] propanoate
PubChem CID10871545
Molecular FormulaC18H32O4Si
Molecular Weight340.54 g/mol
Exact Mass340.21
IUPAC Name[(2R,3R,6R)-2-[[tert-butyl(dimethyl)silyl]oxymethyl]-6-prop-2-enyl-3,6-dihydro-2H-pyran-3-yl] propanoate
SMILESC=CC[C@@H]1C=C[C@@H](OC(=O)CC)[C@@H](CO[Si](C)(C)C(C)(C)C)O1
InChIInChI=1S/C18H32O4Si/c1-8-10-14-11-12-15(22-17(19)9-2)16(21-14)13-20-23(6,7)18(3,4)5/h8,11-12,14-16H,1,9-10,13H2,2-7H3/t14-,15-,16-/m1/s1
InChIKeyJZTJRFNLURKBOJ-BZUAXINKSA-N
XLogP4.23
TPSA44.76 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500340.54
LogP ≤ 54.23
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

[(2Z,4E,8Z)-1-[tert-butyl(dimethyl)silyl]oxyundeca-2,4,8-trien-6-yl] acetate
CID 134946270
[(2E,5E)-3-acetyloxy-2-[2-[tert-butyl(dimethyl)silyl]oxyethylidene]-6,10-dimethylundeca-5,9-dienyl] acetate
CID 134971110
[(2R,3S,6S)-3-acetyloxy-6-(2-trimethylsilylethynyl)-3,6-dihydro-2H-pyran-2-yl]methyl acetate
CID 10892295
methyl (Z,5R)-5-[(2S,3S,6S)-3-acetyloxy-2-(acetyloxymethyl)-3,6-dihydro-2H-pyran-6-yl]hex-3-enoate
CID 16758354
[(2R,3S)-3-acetyloxy-6-(2-trimethylsilylethynyl)-3,6-dihydro-2H-pyran-2-yl]methyl acetate
CID 6917455
(2R)-2-[[tert-butyl(dimethyl)silyl]oxymethyl]-2,3-dihydropyran-6-one
CID 10220446
diethyl (2E,4S,5S,6E)-4,5-bis[[tert-butyl(dimethyl)silyl]oxy]octa-2,6-dienedioate
CID 10838660
(2R,3S)-3-[tert-butyl(dimethyl)silyl]oxy-2-methyl-2,3-dihydropyran-6-one
CID 10955748
(1S,6Z,8R,10S,12Z)-10-[tri(propan-2-yl)silyloxymethyl]-2,9-dioxabicyclo[6.6.0]tetradeca-6,12-dien-3-one
CID 11112024
[(2R,3S,6S)-3-acetyloxy-6-[3-tri(propan-2-yl)silylprop-1-ynyl]-3,6-dihydro-2H-pyran-2-yl]methyl acetate
CID 11350347
ethyl (E)-3-[(4R,5S)-5-[[tert-butyl(dimethyl)silyl]oxymethyl]-2,2-dimethyl-1,3-dioxolan-4-yl]prop-2-enoate
CID 11727653
[(2R,3S,6S)-2-[[tert-butyl(dimethyl)silyl]oxymethyl]-6-ethoxy-3,6-dihydro-2H-pyran-3-yl] methyl carbonate
CID 11791894

Frequently Asked Questions

What is the IUPAC name of [(2R,3R,6R)-2-[[tert-butyl(dimethyl)silyl]oxymethyl]-6-prop-2-enyl-3,6-dihydro-2H-pyran-3-yl] propanoate?
The IUPAC name of [(2R,3R,6R)-2-[[tert-butyl(dimethyl)silyl]oxymethyl]-6-prop-2-enyl-3,6-dihydro-2H-pyran-3-yl] propanoate (CID 10871545) is [(2R,3R,6R)-2-[[tert-butyl(dimethyl)silyl]oxymethyl]-6-prop-2-enyl-3,6-dihydro-2H-pyran-3-yl] propanoate.
What is the SMILES notation for [(2R,3R,6R)-2-[[tert-butyl(dimethyl)silyl]oxymethyl]-6-prop-2-enyl-3,6-dihydro-2H-pyran-3-yl] propanoate?
The canonical SMILES for [(2R,3R,6R)-2-[[tert-butyl(dimethyl)silyl]oxymethyl]-6-prop-2-enyl-3,6-dihydro-2H-pyran-3-yl] propanoate is C=CC[C@@H]1C=C[C@@H](OC(=O)CC)[C@@H](CO[Si](C)(C)C(C)(C)C)O1.
What is the InChIKey of [(2R,3R,6R)-2-[[tert-butyl(dimethyl)silyl]oxymethyl]-6-prop-2-enyl-3,6-dihydro-2H-pyran-3-yl] propanoate?
The InChIKey is JZTJRFNLURKBOJ-BZUAXINKSA-N. The full InChI is InChI=1S/C18H32O4Si/c1-8-10-14-11-12-15(22-17(19)9-2)16(21-14)13-20-23(6,7)18(3,4)5/h8,11-12,14-16H,1,9-10,13H2,2-7H3/t14-,15-,16-/m1/s1.
What are the key properties of [(2R,3R,6R)-2-[[tert-butyl(dimethyl)silyl]oxymethyl]-6-prop-2-enyl-3,6-dihydro-2H-pyran-3-yl] propanoate?
[(2R,3R,6R)-2-[[tert-butyl(dimethyl)silyl]oxymethyl]-6-prop-2-enyl-3,6-dihydro-2H-pyran-3-yl] propanoate has a molecular weight of 340.54 g/mol, XLogP of 4.23, 7 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [(2R,3R,6R)-2-[[tert-butyl(dimethyl)silyl]oxymethyl]-6-prop-2-enyl-3,6-dihydro-2H-pyran-3-yl] propanoate is sourced from PubChem (CID 10871545), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).