triethyl-[(2Z,3R,4S,5R,6R)-2-(fluoromethylidene)-3,5-bis(triethylsilyloxy)-6-(triethylsilyloxymethyl)oxan-4-yl]oxysilane

C31H67FO5Si4 — CID 102198592

IUPACtriethyl-[(2Z,3R,4S,5R,6R)-2-(fluoromethylidene)-3,5-bis(triethylsilyloxy)-6-(triethylsilyloxymethyl)oxan-4-yl]oxysilane
SMILESCC[Si](CC)(CC)OC[C@H]1O/C(=C\F)[C@H](O[Si](CC)(CC)CC)[C@@H](O[Si](CC)(CC)CC)[C@@H]1O[Si](CC)(CC)CC
InChIInChI=1S/C31H67FO5Si4/c1-13-38(14-2,15-3)33-26-28-30(36-40(19-7,20-8)21-9)31(37-41(22-10,23-11)24-12)29(27(25-32)34-28)35-39(16-4,17-5)18-6/h25,28-31H,13-24,26H2,1-12H3/b27-25-/t28-,29+,30-,31-/m1/s1
InChIKeyGWZOJLNAQHRENF-YIAONSGWSA-N
MW651.21 g/mol
LogP10.39
Rot. Bonds21

About triethyl-[(2Z,3R,4S,5R,6R)-2-(fluoromethylidene)-3,5-bis(triethylsilyloxy)-6-(triethylsilyloxymethyl)oxan-4-yl]oxysilane

triethyl-[(2Z,3R,4S,5R,6R)-2-(fluoromethylidene)-3,5-bis(triethylsilyloxy)-6-(triethylsilyloxymethyl)oxan-4-yl]oxysilane (PubChem CID 102198592) has the molecular formula C31H67FO5Si4 and a molecular weight of 651.21 g/mol. Its IUPAC name is triethyl-[(2Z,3R,4S,5R,6R)-2-(fluoromethylidene)-3,5-bis(triethylsilyloxy)-6-(triethylsilyloxymethyl)oxan-4-yl]oxysilane.

Molecular Properties

Compound Nametriethyl-[(2Z,3R,4S,5R,6R)-2-(fluoromethylidene)-3,5-bis(triethylsilyloxy)-6-(triethylsilyloxymethyl)oxan-4-yl]oxysilane
PubChem CID102198592
Molecular FormulaC31H67FO5Si4
Molecular Weight651.21 g/mol
Exact Mass650.40
IUPAC Nametriethyl-[(2Z,3R,4S,5R,6R)-2-(fluoromethylidene)-3,5-bis(triethylsilyloxy)-6-(triethylsilyloxymethyl)oxan-4-yl]oxysilane
SMILESCC[Si](CC)(CC)OC[C@H]1O/C(=C\F)[C@H](O[Si](CC)(CC)CC)[C@@H](O[Si](CC)(CC)CC)[C@@H]1O[Si](CC)(CC)CC
InChIInChI=1S/C31H67FO5Si4/c1-13-38(14-2,15-3)33-26-28-30(36-40(19-7,20-8)21-9)31(37-41(22-10,23-11)24-12)29(27(25-32)34-28)35-39(16-4,17-5)18-6/h25,28-31H,13-24,26H2,1-12H3/b27-25-/t28-,29+,30-,31-/m1/s1
InChIKeyGWZOJLNAQHRENF-YIAONSGWSA-N
XLogP10.39
TPSA46.15 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds21
Heavy Atoms41
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500651.21
LogP ≤ 510.39
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

[(2R,3R,4S,5R)-6-(difluoromethylidene)-4,5-bis(trimethylsilyloxy)-2-(trimethylsilyloxymethyl)oxan-3-yl]oxy-trimethylsilane
CID 14481154
[(3R)-6-(difluoromethylidene)-4,5-bis(triethylsilyloxy)-2-(triethylsilyloxymethyl)oxan-3-yl]oxy-triethylsilane
CID 134841777
triethyl-[(3R)-6-methylidene-4,5-bis(triethylsilyloxy)-2-(triethylsilyloxymethyl)oxan-3-yl]oxysilane
CID 135032975
triethyl-[(2E,3R,4S,5R,6R)-2-(1-fluoroethylidene)-3,5-bis(triethylsilyloxy)-6-(triethylsilyloxymethyl)oxan-4-yl]oxysilane
CID 71614256
[(2R,3R,4R,5E)-3,4-bis[[tert-butyl(dimethyl)silyl]oxy]-5-(fluoromethylidene)oxolan-2-yl]methoxy-tert-butyl-dimethylsilane
CID 71614257
triethyl-[(2Z,3R,4S,5R,6R)-2-(1-fluoroethylidene)-3,5-bis(triethylsilyloxy)-6-(triethylsilyloxymethyl)oxan-4-yl]oxysilane
CID 71614260
triethyl-[(2R,3R,4S,5R)-6-methylidene-4,5-bis(triethylsilyloxy)-2-(triethylsilyloxymethyl)oxan-3-yl]oxysilane
CID 11308153
[(2R,3S,4R)-2-[(1R)-1,2-bis[[tert-butyl(dimethyl)silyl]oxy]ethyl]-4-[tert-butyl(dimethyl)silyl]oxy-5-methylideneoxolan-3-yl]oxy-tert-butyl-dimethylsilane
CID 101232597
[(1S)-1-[(2R,3R,4R)-3,4-bis[[tert-butyl(dimethyl)silyl]oxy]-3,4-dihydro-2H-pyran-2-yl]-2-[tert-butyl(dimethyl)silyl]oxyethoxy]-tert-butyl-dimethylsilane
CID 102024953
[(1R)-1-[(2R,3S,4R)-3,4-bis[[tert-butyl(dimethyl)silyl]oxy]-3,4-dihydro-2H-pyran-2-yl]-2-[tert-butyl(dimethyl)silyl]oxyethoxy]-tert-butyl-dimethylsilane
CID 122363152
[(1S)-1-[(2R,3S,4R)-3,4-bis[[tert-butyl(dimethyl)silyl]oxy]-3,4-dihydro-2H-pyran-2-yl]-2-[tert-butyl(dimethyl)silyl]oxyethoxy]-tert-butyl-dimethylsilane
CID 122363154

Frequently Asked Questions

What is the IUPAC name of triethyl-[(2Z,3R,4S,5R,6R)-2-(fluoromethylidene)-3,5-bis(triethylsilyloxy)-6-(triethylsilyloxymethyl)oxan-4-yl]oxysilane?
The IUPAC name of triethyl-[(2Z,3R,4S,5R,6R)-2-(fluoromethylidene)-3,5-bis(triethylsilyloxy)-6-(triethylsilyloxymethyl)oxan-4-yl]oxysilane (CID 102198592) is triethyl-[(2Z,3R,4S,5R,6R)-2-(fluoromethylidene)-3,5-bis(triethylsilyloxy)-6-(triethylsilyloxymethyl)oxan-4-yl]oxysilane.
What is the SMILES notation for triethyl-[(2Z,3R,4S,5R,6R)-2-(fluoromethylidene)-3,5-bis(triethylsilyloxy)-6-(triethylsilyloxymethyl)oxan-4-yl]oxysilane?
The canonical SMILES for triethyl-[(2Z,3R,4S,5R,6R)-2-(fluoromethylidene)-3,5-bis(triethylsilyloxy)-6-(triethylsilyloxymethyl)oxan-4-yl]oxysilane is CC[Si](CC)(CC)OC[C@H]1O/C(=C\F)[C@H](O[Si](CC)(CC)CC)[C@@H](O[Si](CC)(CC)CC)[C@@H]1O[Si](CC)(CC)CC.
What is the InChIKey of triethyl-[(2Z,3R,4S,5R,6R)-2-(fluoromethylidene)-3,5-bis(triethylsilyloxy)-6-(triethylsilyloxymethyl)oxan-4-yl]oxysilane?
The InChIKey is GWZOJLNAQHRENF-YIAONSGWSA-N. The full InChI is InChI=1S/C31H67FO5Si4/c1-13-38(14-2,15-3)33-26-28-30(36-40(19-7,20-8)21-9)31(37-41(22-10,23-11)24-12)29(27(25-32)34-28)35-39(16-4,17-5)18-6/h25,28-31H,13-24,26H2,1-12H3/b27-25-/t28-,29+,30-,31-/m1/s1.
What are the key properties of triethyl-[(2Z,3R,4S,5R,6R)-2-(fluoromethylidene)-3,5-bis(triethylsilyloxy)-6-(triethylsilyloxymethyl)oxan-4-yl]oxysilane?
triethyl-[(2Z,3R,4S,5R,6R)-2-(fluoromethylidene)-3,5-bis(triethylsilyloxy)-6-(triethylsilyloxymethyl)oxan-4-yl]oxysilane has a molecular weight of 651.21 g/mol, XLogP of 10.39, 21 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for triethyl-[(2Z,3R,4S,5R,6R)-2-(fluoromethylidene)-3,5-bis(triethylsilyloxy)-6-(triethylsilyloxymethyl)oxan-4-yl]oxysilane is sourced from PubChem (CID 102198592), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).