2-[[(2S)-2-[(2R,5S,6R)-6-(2,2-dibromoethenyl)-5-methyloxan-2-yl]propoxy]methoxy]ethyl-trimethylsilane

C17H32Br2O3Si — CID 10457504

IUPAC2-[[(2S)-2-[(2R,5S,6R)-6-(2,2-dibromoethenyl)-5-methyloxan-2-yl]propoxy]methoxy]ethyl-trimethylsilane
SMILESC[C@H]1CC[C@H]([C@@H](C)COCOCC[Si](C)(C)C)O[C@H]1C=C(Br)Br
InChIInChI=1S/C17H32Br2O3Si/c1-13-6-7-15(22-16(13)10-17(18)19)14(2)11-21-12-20-8-9-23(3,4)5/h10,13-16H,6-9,11-12H2,1-5H3/t13-,14-,15+,16-/m0/s1
InChIKeyLNCZUHRHRPNMOP-JONQDZQNSA-N
MW472.33 g/mol
LogP5.77
Rot. Bonds9

About 2-[[(2S)-2-[(2R,5S,6R)-6-(2,2-dibromoethenyl)-5-methyloxan-2-yl]propoxy]methoxy]ethyl-trimethylsilane

2-[[(2S)-2-[(2R,5S,6R)-6-(2,2-dibromoethenyl)-5-methyloxan-2-yl]propoxy]methoxy]ethyl-trimethylsilane (PubChem CID 10457504) has the molecular formula C17H32Br2O3Si and a molecular weight of 472.33 g/mol. Its IUPAC name is 2-[[(2S)-2-[(2R,5S,6R)-6-(2,2-dibromoethenyl)-5-methyloxan-2-yl]propoxy]methoxy]ethyl-trimethylsilane.

Molecular Properties

Compound Name2-[[(2S)-2-[(2R,5S,6R)-6-(2,2-dibromoethenyl)-5-methyloxan-2-yl]propoxy]methoxy]ethyl-trimethylsilane
PubChem CID10457504
Molecular FormulaC17H32Br2O3Si
Molecular Weight472.33 g/mol
Exact Mass470.05
IUPAC Name2-[[(2S)-2-[(2R,5S,6R)-6-(2,2-dibromoethenyl)-5-methyloxan-2-yl]propoxy]methoxy]ethyl-trimethylsilane
SMILESC[C@H]1CC[C@H]([C@@H](C)COCOCC[Si](C)(C)C)O[C@H]1C=C(Br)Br
InChIInChI=1S/C17H32Br2O3Si/c1-13-6-7-15(22-16(13)10-17(18)19)14(2)11-21-12-20-8-9-23(3,4)5/h10,13-16H,6-9,11-12H2,1-5H3/t13-,14-,15+,16-/m0/s1
InChIKeyLNCZUHRHRPNMOP-JONQDZQNSA-N
XLogP5.77
TPSA27.69 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds9
Heavy Atoms23
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500472.33
LogP ≤ 55.77
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'heavy_metal', 'substructure': 'N/A'}, {'alert_name': 'het-C-het_not_in_ring', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 2-[[(2S)-2-[(2R,5S,6R)-6-(2,2-dibromoethenyl)-5-methyloxan-2-yl]propoxy]methoxy]ethyl-trimethylsilane?
The IUPAC name of 2-[[(2S)-2-[(2R,5S,6R)-6-(2,2-dibromoethenyl)-5-methyloxan-2-yl]propoxy]methoxy]ethyl-trimethylsilane (CID 10457504) is 2-[[(2S)-2-[(2R,5S,6R)-6-(2,2-dibromoethenyl)-5-methyloxan-2-yl]propoxy]methoxy]ethyl-trimethylsilane.
What is the SMILES notation for 2-[[(2S)-2-[(2R,5S,6R)-6-(2,2-dibromoethenyl)-5-methyloxan-2-yl]propoxy]methoxy]ethyl-trimethylsilane?
The canonical SMILES for 2-[[(2S)-2-[(2R,5S,6R)-6-(2,2-dibromoethenyl)-5-methyloxan-2-yl]propoxy]methoxy]ethyl-trimethylsilane is C[C@H]1CC[C@H]([C@@H](C)COCOCC[Si](C)(C)C)O[C@H]1C=C(Br)Br.
What is the InChIKey of 2-[[(2S)-2-[(2R,5S,6R)-6-(2,2-dibromoethenyl)-5-methyloxan-2-yl]propoxy]methoxy]ethyl-trimethylsilane?
The InChIKey is LNCZUHRHRPNMOP-JONQDZQNSA-N. The full InChI is InChI=1S/C17H32Br2O3Si/c1-13-6-7-15(22-16(13)10-17(18)19)14(2)11-21-12-20-8-9-23(3,4)5/h10,13-16H,6-9,11-12H2,1-5H3/t13-,14-,15+,16-/m0/s1.
What are the key properties of 2-[[(2S)-2-[(2R,5S,6R)-6-(2,2-dibromoethenyl)-5-methyloxan-2-yl]propoxy]methoxy]ethyl-trimethylsilane?
2-[[(2S)-2-[(2R,5S,6R)-6-(2,2-dibromoethenyl)-5-methyloxan-2-yl]propoxy]methoxy]ethyl-trimethylsilane has a molecular weight of 472.33 g/mol, XLogP of 5.77, 9 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[(2S)-2-[(2R,5S,6R)-6-(2,2-dibromoethenyl)-5-methyloxan-2-yl]propoxy]methoxy]ethyl-trimethylsilane is sourced from PubChem (CID 10457504), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).