triethyl-[(2R,3S)-2-[4-[(2S,3R,5S,6R)-5-phenylmethoxy-6-(phenylmethoxymethyl)-3-triethylsilyloxyoxan-2-yl]but-2-ynyl]oxan-3-yl]oxysilane

C41H64O6Si2 — CID 11274042

IUPACtriethyl-[(2R,3S)-2-[4-[(2S,3R,5S,6R)-5-phenylmethoxy-6-(phenylmethoxymethyl)-3-triethylsilyloxyoxan-2-yl]but-2-ynyl]oxan-3-yl]oxysilane
SMILESCC[Si](CC)(CC)O[C@H]1CCCO[C@@H]1CC#CC[C@@H]1O[C@H](COCc2ccccc2)[C@@H](OCc2ccccc2)C[C@H]1O[Si](CC)(CC)CC
InChIInChI=1S/C41H64O6Si2/c1-7-48(8-2,9-3)46-38-28-21-29-43-36(38)26-19-20-27-37-40(47-49(10-4,11-5)12-6)30-39(44-32-35-24-17-14-18-25-35)41(45-37)33-42-31-34-22-15-13-16-23-34/h13-18,22-25,36-41H,7-12,21,26-33H2,1-6H3/t36-,37+,38+,39+,40-,41-/m1/s1
InChIKeyOKIDGLXWPCCDQM-BFZFGVKUSA-N
MW709.13 g/mol
LogP9.69
Rot. Bonds19

About triethyl-[(2R,3S)-2-[4-[(2S,3R,5S,6R)-5-phenylmethoxy-6-(phenylmethoxymethyl)-3-triethylsilyloxyoxan-2-yl]but-2-ynyl]oxan-3-yl]oxysilane

triethyl-[(2R,3S)-2-[4-[(2S,3R,5S,6R)-5-phenylmethoxy-6-(phenylmethoxymethyl)-3-triethylsilyloxyoxan-2-yl]but-2-ynyl]oxan-3-yl]oxysilane (PubChem CID 11274042) has the molecular formula C41H64O6Si2 and a molecular weight of 709.13 g/mol. Its IUPAC name is triethyl-[(2R,3S)-2-[4-[(2S,3R,5S,6R)-5-phenylmethoxy-6-(phenylmethoxymethyl)-3-triethylsilyloxyoxan-2-yl]but-2-ynyl]oxan-3-yl]oxysilane.

Molecular Properties

Compound Nametriethyl-[(2R,3S)-2-[4-[(2S,3R,5S,6R)-5-phenylmethoxy-6-(phenylmethoxymethyl)-3-triethylsilyloxyoxan-2-yl]but-2-ynyl]oxan-3-yl]oxysilane
PubChem CID11274042
Molecular FormulaC41H64O6Si2
Molecular Weight709.13 g/mol
Exact Mass708.42
IUPAC Nametriethyl-[(2R,3S)-2-[4-[(2S,3R,5S,6R)-5-phenylmethoxy-6-(phenylmethoxymethyl)-3-triethylsilyloxyoxan-2-yl]but-2-ynyl]oxan-3-yl]oxysilane
SMILESCC[Si](CC)(CC)O[C@H]1CCCO[C@@H]1CC#CC[C@@H]1O[C@H](COCc2ccccc2)[C@@H](OCc2ccccc2)C[C@H]1O[Si](CC)(CC)CC
InChIInChI=1S/C41H64O6Si2/c1-7-48(8-2,9-3)46-38-28-21-29-43-36(38)26-19-20-27-37-40(47-49(10-4,11-5)12-6)30-39(44-32-35-24-17-14-18-25-35)41(45-37)33-42-31-34-22-15-13-16-23-34/h13-18,22-25,36-41H,7-12,21,26-33H2,1-6H3/t36-,37+,38+,39+,40-,41-/m1/s1
InChIKeyOKIDGLXWPCCDQM-BFZFGVKUSA-N
XLogP9.69
TPSA55.38 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds19
Heavy Atoms49
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500709.13
LogP ≤ 59.69
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

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Related Compounds

(2S,3S)-3-hexadecoxy-2-(phenylmethoxymethyl)oxane
CID 22841014
triphenyl-[(2R,4S,5R)-4-phenylmethoxy-5-(phenylmethoxymethyl)oxolan-2-yl]phosphanium
CID 11828410
(2R,3S,4S)-3,4-bis(phenylmethoxy)-2-(phenylmethoxymethyl)oxane
CID 16688925
benzene;3,4-bis(phenylmethoxy)-2-(phenylmethoxymethyl)oxane
CID 171558653
(2R,3S,5R)-5-ethynyl-3-phenylmethoxy-2-(phenylmethoxymethyl)oxolane
CID 11484097
(2R,3R,4R,5R)-3,4-bis(phenylmethoxy)-2,5-bis(phenylmethoxymethyl)oxolane
CID 14020682
2-(phenylmethoxymethyl)oxane-3-thiol
CID 14206189
(2R,4R,5R)-4-phenylmethoxy-5-(phenylmethoxymethyl)oxolane-2-carbaldehyde
CID 134841401
(2R,3S,5S)-5-(oxan-2-yloxy)-3-phenylmethoxy-2-(phenylmethoxymethyl)oxane
CID 10835500
(2R,3R,4S,4aS,6R,7S,8aS)-6-[(4S,5R)-5-[[(2R,3R)-3-[tert-butyl(dimethyl)silyl]oxyoxan-2-yl]methyl]-2,2-dimethyl-1,3-dioxolan-4-yl]-3,4-bis(phenylmethoxy)-2-(phenylmethoxymethyl)-2,3,4,4a,6,7,8,8a-octahydropyrano[3,2-b]pyran-7-ol
CID 102325488
(2R,3S)-5-benzylsulfanyl-3-phenylmethoxy-2-(phenylmethoxymethyl)oxolane
CID 15059956
(2R,4S,5R)-4-phenylmethoxy-5-(phenylmethoxymethyl)oxolane-2-carboxylic acid
CID 11382284

Frequently Asked Questions

What is the IUPAC name of triethyl-[(2R,3S)-2-[4-[(2S,3R,5S,6R)-5-phenylmethoxy-6-(phenylmethoxymethyl)-3-triethylsilyloxyoxan-2-yl]but-2-ynyl]oxan-3-yl]oxysilane?
The IUPAC name of triethyl-[(2R,3S)-2-[4-[(2S,3R,5S,6R)-5-phenylmethoxy-6-(phenylmethoxymethyl)-3-triethylsilyloxyoxan-2-yl]but-2-ynyl]oxan-3-yl]oxysilane (CID 11274042) is triethyl-[(2R,3S)-2-[4-[(2S,3R,5S,6R)-5-phenylmethoxy-6-(phenylmethoxymethyl)-3-triethylsilyloxyoxan-2-yl]but-2-ynyl]oxan-3-yl]oxysilane.
What is the SMILES notation for triethyl-[(2R,3S)-2-[4-[(2S,3R,5S,6R)-5-phenylmethoxy-6-(phenylmethoxymethyl)-3-triethylsilyloxyoxan-2-yl]but-2-ynyl]oxan-3-yl]oxysilane?
The canonical SMILES for triethyl-[(2R,3S)-2-[4-[(2S,3R,5S,6R)-5-phenylmethoxy-6-(phenylmethoxymethyl)-3-triethylsilyloxyoxan-2-yl]but-2-ynyl]oxan-3-yl]oxysilane is CC[Si](CC)(CC)O[C@H]1CCCO[C@@H]1CC#CC[C@@H]1O[C@H](COCc2ccccc2)[C@@H](OCc2ccccc2)C[C@H]1O[Si](CC)(CC)CC.
What is the InChIKey of triethyl-[(2R,3S)-2-[4-[(2S,3R,5S,6R)-5-phenylmethoxy-6-(phenylmethoxymethyl)-3-triethylsilyloxyoxan-2-yl]but-2-ynyl]oxan-3-yl]oxysilane?
The InChIKey is OKIDGLXWPCCDQM-BFZFGVKUSA-N. The full InChI is InChI=1S/C41H64O6Si2/c1-7-48(8-2,9-3)46-38-28-21-29-43-36(38)26-19-20-27-37-40(47-49(10-4,11-5)12-6)30-39(44-32-35-24-17-14-18-25-35)41(45-37)33-42-31-34-22-15-13-16-23-34/h13-18,22-25,36-41H,7-12,21,26-33H2,1-6H3/t36-,37+,38+,39+,40-,41-/m1/s1.
What are the key properties of triethyl-[(2R,3S)-2-[4-[(2S,3R,5S,6R)-5-phenylmethoxy-6-(phenylmethoxymethyl)-3-triethylsilyloxyoxan-2-yl]but-2-ynyl]oxan-3-yl]oxysilane?
triethyl-[(2R,3S)-2-[4-[(2S,3R,5S,6R)-5-phenylmethoxy-6-(phenylmethoxymethyl)-3-triethylsilyloxyoxan-2-yl]but-2-ynyl]oxan-3-yl]oxysilane has a molecular weight of 709.13 g/mol, XLogP of 9.69, 19 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for triethyl-[(2R,3S)-2-[4-[(2S,3R,5S,6R)-5-phenylmethoxy-6-(phenylmethoxymethyl)-3-triethylsilyloxyoxan-2-yl]but-2-ynyl]oxan-3-yl]oxysilane is sourced from PubChem (CID 11274042), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).