[(2R,3S,6S)-3-(2-bromoprop-2-enoxy)-6-[(E)-but-2-enoxy]-3,6-dihydro-2H-pyran-2-yl]methoxy-tert-butyl-dimethylsilane

C19H33BrO4Si — CID 10717637

IUPAC[(2R,3S,6S)-3-(2-bromoprop-2-enoxy)-6-[(E)-but-2-enoxy]-3,6-dihydro-2H-pyran-2-yl]methoxy-tert-butyl-dimethylsilane
SMILESC=C(Br)CO[C@H]1C=C[C@@H](OC/C=C/C)O[C@@H]1CO[Si](C)(C)C(C)(C)C
InChIInChI=1S/C19H33BrO4Si/c1-8-9-12-21-18-11-10-16(22-13-15(2)20)17(24-18)14-23-25(6,7)19(3,4)5/h8-11,16-18H,2,12-14H2,1,3-7H3/b9-8+/t16-,17+,18-/m0/s1
InChIKeyZMLMMWHULAFOOA-NVIJWMOFSA-N
MW433.46 g/mol
LogP5.18
Rot. Bonds9

About [(2R,3S,6S)-3-(2-bromoprop-2-enoxy)-6-[(E)-but-2-enoxy]-3,6-dihydro-2H-pyran-2-yl]methoxy-tert-butyl-dimethylsilane

[(2R,3S,6S)-3-(2-bromoprop-2-enoxy)-6-[(E)-but-2-enoxy]-3,6-dihydro-2H-pyran-2-yl]methoxy-tert-butyl-dimethylsilane (PubChem CID 10717637) has the molecular formula C19H33BrO4Si and a molecular weight of 433.46 g/mol. Its IUPAC name is [(2R,3S,6S)-3-(2-bromoprop-2-enoxy)-6-[(E)-but-2-enoxy]-3,6-dihydro-2H-pyran-2-yl]methoxy-tert-butyl-dimethylsilane.

Molecular Properties

Compound Name[(2R,3S,6S)-3-(2-bromoprop-2-enoxy)-6-[(E)-but-2-enoxy]-3,6-dihydro-2H-pyran-2-yl]methoxy-tert-butyl-dimethylsilane
PubChem CID10717637
Molecular FormulaC19H33BrO4Si
Molecular Weight433.46 g/mol
Exact Mass432.13
IUPAC Name[(2R,3S,6S)-3-(2-bromoprop-2-enoxy)-6-[(E)-but-2-enoxy]-3,6-dihydro-2H-pyran-2-yl]methoxy-tert-butyl-dimethylsilane
SMILESC=C(Br)CO[C@H]1C=C[C@@H](OC/C=C/C)O[C@@H]1CO[Si](C)(C)C(C)(C)C
InChIInChI=1S/C19H33BrO4Si/c1-8-9-12-21-18-11-10-16(22-13-15(2)20)17(24-18)14-23-25(6,7)19(3,4)5/h8-11,16-18H,2,12-14H2,1,3-7H3/b9-8+/t16-,17+,18-/m0/s1
InChIKeyZMLMMWHULAFOOA-NVIJWMOFSA-N
XLogP5.18
TPSA36.92 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds9
Heavy Atoms25
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500433.46
LogP ≤ 55.18
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

[(2R,3S,6S)-3-(2-bromoprop-2-enoxy)-6-ethoxy-3,6-dihydro-2H-pyran-2-yl]methoxy-tert-butyl-dimethylsilane
CID 10645072
(2R,3S,6S)-6-[(E)-but-2-enoxy]-2-[[tert-butyl(dimethyl)silyl]oxymethyl]-3,6-dihydro-2H-pyran-3-ol
CID 10852786
tert-butyl-[[(2R,3S,6S)-2-[[tert-butyl(dimethyl)silyl]oxymethyl]-6-prop-2-ynoxy-3,6-dihydro-2H-pyran-3-yl]oxy]-dimethylsilane
CID 10787861
(2R,3S,6S)-2-[[tert-butyl(dimethyl)silyl]oxymethyl]-6-ethoxy-3,6-dihydro-2H-pyran-3-ol
CID 11748235
[(2R,3S,6R,7S)-6-acetyloxy-2,7-bis[[tert-butyl(dimethyl)silyl]oxymethyl]-2,3,6,7-tetrahydrooxepin-3-yl] acetate
CID 11755802
tert-butyl-[[(1S,2R,3S,4R)-3-[[tert-butyl(dimethyl)silyl]oxymethyl]-7-oxabicyclo[2.2.1]hept-5-en-2-yl]methoxy]-dimethylsilane
CID 11176597
[(1R,2R,5S,7R)-7-[[tert-butyl(dimethyl)silyl]oxymethyl]-6,8-dioxabicyclo[3.2.1]oct-3-en-2-yl] formate
CID 11220330
tert-butyl-[[(2R,3S)-3-[tert-butyl(dimethyl)silyl]oxy-2,3-dihydrofuran-2-yl]methoxy]-dimethylsilane
CID 11824133
[(2R,3S,6S)-3-acetyloxy-6-[(E)-hex-2-enoxy]-3,6-dihydro-2H-pyran-2-yl]methyl acetate
CID 101193810
(2R,4S,5S)-6-[[tert-butyl(dimethyl)silyl]oxymethyl]oxane-2,3,4,5-tetrol
CID 132936006
[3-acetyloxy-6-(2-methylidene-5-trimethylsilylpent-3-enoxy)-3,6-dihydro-2H-pyran-2-yl]methyl acetate
CID 6709721
(E)-5-[tert-butyl(dimethyl)silyl]oxy-4-[[(2R,3S,6R,7S)-6-phenylmethoxy-7-(phenylmethoxymethyl)-2-prop-2-enyl-2,3,6,7-tetrahydrooxepin-3-yl]oxy]-2-trimethylsilyloxypent-3-enenitrile
CID 11468075

Frequently Asked Questions

What is the IUPAC name of [(2R,3S,6S)-3-(2-bromoprop-2-enoxy)-6-[(E)-but-2-enoxy]-3,6-dihydro-2H-pyran-2-yl]methoxy-tert-butyl-dimethylsilane?
The IUPAC name of [(2R,3S,6S)-3-(2-bromoprop-2-enoxy)-6-[(E)-but-2-enoxy]-3,6-dihydro-2H-pyran-2-yl]methoxy-tert-butyl-dimethylsilane (CID 10717637) is [(2R,3S,6S)-3-(2-bromoprop-2-enoxy)-6-[(E)-but-2-enoxy]-3,6-dihydro-2H-pyran-2-yl]methoxy-tert-butyl-dimethylsilane.
What is the SMILES notation for [(2R,3S,6S)-3-(2-bromoprop-2-enoxy)-6-[(E)-but-2-enoxy]-3,6-dihydro-2H-pyran-2-yl]methoxy-tert-butyl-dimethylsilane?
The canonical SMILES for [(2R,3S,6S)-3-(2-bromoprop-2-enoxy)-6-[(E)-but-2-enoxy]-3,6-dihydro-2H-pyran-2-yl]methoxy-tert-butyl-dimethylsilane is C=C(Br)CO[C@H]1C=C[C@@H](OC/C=C/C)O[C@@H]1CO[Si](C)(C)C(C)(C)C.
What is the InChIKey of [(2R,3S,6S)-3-(2-bromoprop-2-enoxy)-6-[(E)-but-2-enoxy]-3,6-dihydro-2H-pyran-2-yl]methoxy-tert-butyl-dimethylsilane?
The InChIKey is ZMLMMWHULAFOOA-NVIJWMOFSA-N. The full InChI is InChI=1S/C19H33BrO4Si/c1-8-9-12-21-18-11-10-16(22-13-15(2)20)17(24-18)14-23-25(6,7)19(3,4)5/h8-11,16-18H,2,12-14H2,1,3-7H3/b9-8+/t16-,17+,18-/m0/s1.
What are the key properties of [(2R,3S,6S)-3-(2-bromoprop-2-enoxy)-6-[(E)-but-2-enoxy]-3,6-dihydro-2H-pyran-2-yl]methoxy-tert-butyl-dimethylsilane?
[(2R,3S,6S)-3-(2-bromoprop-2-enoxy)-6-[(E)-but-2-enoxy]-3,6-dihydro-2H-pyran-2-yl]methoxy-tert-butyl-dimethylsilane has a molecular weight of 433.46 g/mol, XLogP of 5.18, 9 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [(2R,3S,6S)-3-(2-bromoprop-2-enoxy)-6-[(E)-but-2-enoxy]-3,6-dihydro-2H-pyran-2-yl]methoxy-tert-butyl-dimethylsilane is sourced from PubChem (CID 10717637), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).