triethyl-[(2E,3R,4S,5R,6R)-2-(1-fluoroethylidene)-3,5-bis(triethylsilyloxy)-6-(triethylsilyloxymethyl)oxan-4-yl]oxysilane

C32H69FO5Si4 — CID 71614256

IUPACtriethyl-[(2E,3R,4S,5R,6R)-2-(1-fluoroethylidene)-3,5-bis(triethylsilyloxy)-6-(triethylsilyloxymethyl)oxan-4-yl]oxysilane
SMILESCC[Si](CC)(CC)OC[C@H]1O/C(=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/C32H69FO5Si4/c1-14-39(15-2,16-3)34-26-28-30(36-40(17-4,18-5)19-6)32(38-42(23-10,24-11)25-12)31(29(35-28)27(13)33)37-41(20-7,21-8)22-9/h28,30-32H,14-26H2,1-13H3/b29-27+/t28-,30-,31+,32+/m1/s1
InChIKeyHNQSXBYCPFWVRC-DCLIUIMXSA-N
MW665.24 g/mol
LogP10.78
Rot. Bonds21

About triethyl-[(2E,3R,4S,5R,6R)-2-(1-fluoroethylidene)-3,5-bis(triethylsilyloxy)-6-(triethylsilyloxymethyl)oxan-4-yl]oxysilane

triethyl-[(2E,3R,4S,5R,6R)-2-(1-fluoroethylidene)-3,5-bis(triethylsilyloxy)-6-(triethylsilyloxymethyl)oxan-4-yl]oxysilane (PubChem CID 71614256) has the molecular formula C32H69FO5Si4 and a molecular weight of 665.24 g/mol. Its IUPAC name is triethyl-[(2E,3R,4S,5R,6R)-2-(1-fluoroethylidene)-3,5-bis(triethylsilyloxy)-6-(triethylsilyloxymethyl)oxan-4-yl]oxysilane.

Molecular Properties

Compound Nametriethyl-[(2E,3R,4S,5R,6R)-2-(1-fluoroethylidene)-3,5-bis(triethylsilyloxy)-6-(triethylsilyloxymethyl)oxan-4-yl]oxysilane
PubChem CID71614256
Molecular FormulaC32H69FO5Si4
Molecular Weight665.24 g/mol
Exact Mass664.42
IUPAC Nametriethyl-[(2E,3R,4S,5R,6R)-2-(1-fluoroethylidene)-3,5-bis(triethylsilyloxy)-6-(triethylsilyloxymethyl)oxan-4-yl]oxysilane
SMILESCC[Si](CC)(CC)OC[C@H]1O/C(=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/C32H69FO5Si4/c1-14-39(15-2,16-3)34-26-28-30(36-40(17-4,18-5)19-6)32(38-42(23-10,24-11)25-12)31(29(35-28)27(13)33)37-41(20-7,21-8)22-9/h28,30-32H,14-26H2,1-13H3/b29-27+/t28-,30-,31+,32+/m1/s1
InChIKeyHNQSXBYCPFWVRC-DCLIUIMXSA-N
XLogP10.78
TPSA46.15 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds21
Heavy Atoms42
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500665.24
LogP ≤ 510.78
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
[(2R,3R,4R)-3,4-bis[[tert-butyl(dimethyl)silyl]oxy]-5-(1-fluoroethylidene)oxolan-2-yl]methoxy-tert-butyl-dimethylsilane
CID 134854435
triethyl-[(2Z,3R,4S,5R,6R)-2-(1-fluoroethylidene)-3,5-bis(triethylsilyloxy)-6-(triethylsilyloxymethyl)oxan-4-yl]oxysilane
CID 71614260
[(2R,3R,4R,5Z)-3,4-bis[[tert-butyl(dimethyl)silyl]oxy]-5-(1-fluoroethylidene)oxolan-2-yl]methoxy-tert-butyl-dimethylsilane
CID 71614459
triethyl-[(2Z,3R,4S,5R,6R)-2-(fluoromethylidene)-3,5-bis(triethylsilyloxy)-6-(triethylsilyloxymethyl)oxan-4-yl]oxysilane
CID 102198592
[(2R,3R,4S,5R,6Z)-3,5-bis[[tert-butyl(dimethyl)silyl]oxy]-2-[[tert-butyl(dimethyl)silyl]oxymethyl]-6-prop-2-enylideneoxan-4-yl]oxy-tert-butyl-dimethylsilane
CID 11422427
[(2R,3S,4S,5R,6Z)-3,5-bis[[tert-butyl(dimethyl)silyl]oxy]-2-[[tert-butyl(dimethyl)silyl]oxymethyl]-6-prop-2-enylideneoxan-4-yl]oxy-tert-butyl-dimethylsilane
CID 101106239

Frequently Asked Questions

What is the IUPAC name of triethyl-[(2E,3R,4S,5R,6R)-2-(1-fluoroethylidene)-3,5-bis(triethylsilyloxy)-6-(triethylsilyloxymethyl)oxan-4-yl]oxysilane?
The IUPAC name of triethyl-[(2E,3R,4S,5R,6R)-2-(1-fluoroethylidene)-3,5-bis(triethylsilyloxy)-6-(triethylsilyloxymethyl)oxan-4-yl]oxysilane (CID 71614256) is triethyl-[(2E,3R,4S,5R,6R)-2-(1-fluoroethylidene)-3,5-bis(triethylsilyloxy)-6-(triethylsilyloxymethyl)oxan-4-yl]oxysilane.
What is the SMILES notation for triethyl-[(2E,3R,4S,5R,6R)-2-(1-fluoroethylidene)-3,5-bis(triethylsilyloxy)-6-(triethylsilyloxymethyl)oxan-4-yl]oxysilane?
The canonical SMILES for triethyl-[(2E,3R,4S,5R,6R)-2-(1-fluoroethylidene)-3,5-bis(triethylsilyloxy)-6-(triethylsilyloxymethyl)oxan-4-yl]oxysilane is CC[Si](CC)(CC)OC[C@H]1O/C(=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-[(2E,3R,4S,5R,6R)-2-(1-fluoroethylidene)-3,5-bis(triethylsilyloxy)-6-(triethylsilyloxymethyl)oxan-4-yl]oxysilane?
The InChIKey is HNQSXBYCPFWVRC-DCLIUIMXSA-N. The full InChI is InChI=1S/C32H69FO5Si4/c1-14-39(15-2,16-3)34-26-28-30(36-40(17-4,18-5)19-6)32(38-42(23-10,24-11)25-12)31(29(35-28)27(13)33)37-41(20-7,21-8)22-9/h28,30-32H,14-26H2,1-13H3/b29-27+/t28-,30-,31+,32+/m1/s1.
What are the key properties of triethyl-[(2E,3R,4S,5R,6R)-2-(1-fluoroethylidene)-3,5-bis(triethylsilyloxy)-6-(triethylsilyloxymethyl)oxan-4-yl]oxysilane?
triethyl-[(2E,3R,4S,5R,6R)-2-(1-fluoroethylidene)-3,5-bis(triethylsilyloxy)-6-(triethylsilyloxymethyl)oxan-4-yl]oxysilane has a molecular weight of 665.24 g/mol, XLogP of 10.78, 21 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for triethyl-[(2E,3R,4S,5R,6R)-2-(1-fluoroethylidene)-3,5-bis(triethylsilyloxy)-6-(triethylsilyloxymethyl)oxan-4-yl]oxysilane is sourced from PubChem (CID 71614256), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).