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

C17H31BrO4Si — CID 10645072

IUPAC[(2R,3S,6S)-3-(2-bromoprop-2-enoxy)-6-ethoxy-3,6-dihydro-2H-pyran-2-yl]methoxy-tert-butyl-dimethylsilane
SMILESC=C(Br)CO[C@H]1C=C[C@@H](OCC)O[C@@H]1CO[Si](C)(C)C(C)(C)C
InChIInChI=1S/C17H31BrO4Si/c1-8-19-16-10-9-14(20-11-13(2)18)15(22-16)12-21-23(6,7)17(3,4)5/h9-10,14-16H,2,8,11-12H2,1,3-7H3/t14-,15+,16-/m0/s1
InChIKeyNKFVVCPACZJNSN-XHSDSOJGSA-N
MW407.42 g/mol
LogP4.62
Rot. Bonds8

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

[(2R,3S,6S)-3-(2-bromoprop-2-enoxy)-6-ethoxy-3,6-dihydro-2H-pyran-2-yl]methoxy-tert-butyl-dimethylsilane (PubChem CID 10645072) has the molecular formula C17H31BrO4Si and a molecular weight of 407.42 g/mol. Its IUPAC name is [(2R,3S,6S)-3-(2-bromoprop-2-enoxy)-6-ethoxy-3,6-dihydro-2H-pyran-2-yl]methoxy-tert-butyl-dimethylsilane.

Molecular Properties

Compound Name[(2R,3S,6S)-3-(2-bromoprop-2-enoxy)-6-ethoxy-3,6-dihydro-2H-pyran-2-yl]methoxy-tert-butyl-dimethylsilane
PubChem CID10645072
Molecular FormulaC17H31BrO4Si
Molecular Weight407.42 g/mol
Exact Mass406.12
IUPAC Name[(2R,3S,6S)-3-(2-bromoprop-2-enoxy)-6-ethoxy-3,6-dihydro-2H-pyran-2-yl]methoxy-tert-butyl-dimethylsilane
SMILESC=C(Br)CO[C@H]1C=C[C@@H](OCC)O[C@@H]1CO[Si](C)(C)C(C)(C)C
InChIInChI=1S/C17H31BrO4Si/c1-8-19-16-10-9-14(20-11-13(2)18)15(22-16)12-21-23(6,7)17(3,4)5/h9-10,14-16H,2,8,11-12H2,1,3-7H3/t14-,15+,16-/m0/s1
InChIKeyNKFVVCPACZJNSN-XHSDSOJGSA-N
XLogP4.62
TPSA36.92 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500407.42
LogP ≤ 54.62
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-[(E)-but-2-enoxy]-3,6-dihydro-2H-pyran-2-yl]methoxy-tert-butyl-dimethylsilane
CID 10717637
(2R,3S,6S)-2-[[tert-butyl(dimethyl)silyl]oxymethyl]-6-ethoxy-3,6-dihydro-2H-pyran-3-ol
CID 11748235
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,6R,7S)-6-acetyloxy-2,7-bis[[tert-butyl(dimethyl)silyl]oxymethyl]-2,3,6,7-tetrahydrooxepin-3-yl] acetate
CID 11755802
(2R,3S,6S)-6-[(E)-but-2-enoxy]-2-[[tert-butyl(dimethyl)silyl]oxymethyl]-3,6-dihydro-2H-pyran-3-ol
CID 10852786
[(2R,3S,6S)-3-acetyloxy-6-[3-[1-[(2S,3S,6S)-2-[[tert-butyl(dimethyl)silyl]oxymethyl]-6-ethoxy-3,6-dihydro-2H-pyran-3-yl]-2,4-dioxopyrimidin-5-yl]prop-2-ynoxy]-3,6-dihydro-2H-pyran-2-yl]methyl acetate
CID 102323550
tert-butyl-[[(2R,3S,6S)-3-[7-[[(2R,3S,6S)-2-[[tert-butyl(diphenyl)silyl]oxymethyl]-6-ethoxy-3,6-dihydro-2H-pyran-3-yl]oxy]naphthalen-2-yl]oxy-6-ethoxy-3,6-dihydro-2H-pyran-2-yl]methoxy]-diphenylsilane
CID 10985865
(2S,3R,6S)-6-[[tert-butyl(dimethyl)silyl]oxymethyl]-2-ethoxy-3,6-dihydro-2H-pyran-3-amine
CID 11162011
tert-butyl-[[(2R,3S)-3-[tert-butyl(dimethyl)silyl]oxy-2,3-dihydrofuran-2-yl]methoxy]-dimethylsilane
CID 11824133
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
(2S,3R,6R)-2-[2-[[(2S,3R,6R)-2-[[(2S,3R,6R)-2-[[tert-butyl(dimethyl)silyl]oxymethyl]-3-hydroxy-3,6-dihydro-2H-pyran-6-yl]oxymethyl]-3-hydroxy-3,6-dihydro-2H-pyran-6-yl]oxy]ethyl]-6-phenylmethoxy-3,6-dihydro-2H-pyran-3-ol
CID 134880705
tert-butyl-[[4-[tert-butyl(dimethyl)silyl]oxy-3-methyl-3,4-dihydro-2H-pyran-2-yl]methoxy]-dimethylsilane
CID 59672533

Frequently Asked Questions

What is the IUPAC name of [(2R,3S,6S)-3-(2-bromoprop-2-enoxy)-6-ethoxy-3,6-dihydro-2H-pyran-2-yl]methoxy-tert-butyl-dimethylsilane?
The IUPAC name of [(2R,3S,6S)-3-(2-bromoprop-2-enoxy)-6-ethoxy-3,6-dihydro-2H-pyran-2-yl]methoxy-tert-butyl-dimethylsilane (CID 10645072) is [(2R,3S,6S)-3-(2-bromoprop-2-enoxy)-6-ethoxy-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-ethoxy-3,6-dihydro-2H-pyran-2-yl]methoxy-tert-butyl-dimethylsilane?
The canonical SMILES for [(2R,3S,6S)-3-(2-bromoprop-2-enoxy)-6-ethoxy-3,6-dihydro-2H-pyran-2-yl]methoxy-tert-butyl-dimethylsilane is C=C(Br)CO[C@H]1C=C[C@@H](OCC)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-ethoxy-3,6-dihydro-2H-pyran-2-yl]methoxy-tert-butyl-dimethylsilane?
The InChIKey is NKFVVCPACZJNSN-XHSDSOJGSA-N. The full InChI is InChI=1S/C17H31BrO4Si/c1-8-19-16-10-9-14(20-11-13(2)18)15(22-16)12-21-23(6,7)17(3,4)5/h9-10,14-16H,2,8,11-12H2,1,3-7H3/t14-,15+,16-/m0/s1.
What are the key properties of [(2R,3S,6S)-3-(2-bromoprop-2-enoxy)-6-ethoxy-3,6-dihydro-2H-pyran-2-yl]methoxy-tert-butyl-dimethylsilane?
[(2R,3S,6S)-3-(2-bromoprop-2-enoxy)-6-ethoxy-3,6-dihydro-2H-pyran-2-yl]methoxy-tert-butyl-dimethylsilane has a molecular weight of 407.42 g/mol, XLogP of 4.62, 8 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-ethoxy-3,6-dihydro-2H-pyran-2-yl]methoxy-tert-butyl-dimethylsilane is sourced from PubChem (CID 10645072), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).