[(3R)-6-(difluoromethylidene)-4,5-bis(triethylsilyloxy)-2-(triethylsilyloxymethyl)oxan-3-yl]oxy-triethylsilane

C31H66F2O5Si4 — CID 134841777

IUPAC[(3R)-6-(difluoromethylidene)-4,5-bis(triethylsilyloxy)-2-(triethylsilyloxymethyl)oxan-3-yl]oxy-triethylsilane
SMILESCC[Si](CC)(CC)OCC1OC(=C(F)F)C(O[Si](CC)(CC)CC)C(O[Si](CC)(CC)CC)[C@@H]1O[Si](CC)(CC)CC
InChIInChI=1S/C31H66F2O5Si4/c1-13-39(14-2,15-3)34-25-26-27(36-40(16-4,17-5)18-6)28(37-41(19-7,20-8)21-9)29(30(35-26)31(32)33)38-42(22-10,23-11)24-12/h26-29H,13-25H2,1-12H3/t26?,27-,28?,29?/m1/s1
InChIKeyRYGCRYWIJZBDHG-YGSKOOTNSA-N
MW669.20 g/mol
LogP10.69
Rot. Bonds21

About [(3R)-6-(difluoromethylidene)-4,5-bis(triethylsilyloxy)-2-(triethylsilyloxymethyl)oxan-3-yl]oxy-triethylsilane

[(3R)-6-(difluoromethylidene)-4,5-bis(triethylsilyloxy)-2-(triethylsilyloxymethyl)oxan-3-yl]oxy-triethylsilane (PubChem CID 134841777) has the molecular formula C31H66F2O5Si4 and a molecular weight of 669.20 g/mol. Its IUPAC name is [(3R)-6-(difluoromethylidene)-4,5-bis(triethylsilyloxy)-2-(triethylsilyloxymethyl)oxan-3-yl]oxy-triethylsilane.

Molecular Properties

Compound Name[(3R)-6-(difluoromethylidene)-4,5-bis(triethylsilyloxy)-2-(triethylsilyloxymethyl)oxan-3-yl]oxy-triethylsilane
PubChem CID134841777
Molecular FormulaC31H66F2O5Si4
Molecular Weight669.20 g/mol
Exact Mass668.40
IUPAC Name[(3R)-6-(difluoromethylidene)-4,5-bis(triethylsilyloxy)-2-(triethylsilyloxymethyl)oxan-3-yl]oxy-triethylsilane
SMILESCC[Si](CC)(CC)OCC1OC(=C(F)F)C(O[Si](CC)(CC)CC)C(O[Si](CC)(CC)CC)[C@@H]1O[Si](CC)(CC)CC
InChIInChI=1S/C31H66F2O5Si4/c1-13-39(14-2,15-3)34-25-26-27(36-40(16-4,17-5)18-6)28(37-41(19-7,20-8)21-9)29(30(35-26)31(32)33)38-42(22-10,23-11)24-12/h26-29H,13-25H2,1-12H3/t26?,27-,28?,29?/m1/s1
InChIKeyRYGCRYWIJZBDHG-YGSKOOTNSA-N
XLogP10.69
TPSA46.15 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds21
Heavy Atoms42
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500669.20
LogP ≤ 510.69
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of [(3R)-6-(difluoromethylidene)-4,5-bis(triethylsilyloxy)-2-(triethylsilyloxymethyl)oxan-3-yl]oxy-triethylsilane?
The IUPAC name of [(3R)-6-(difluoromethylidene)-4,5-bis(triethylsilyloxy)-2-(triethylsilyloxymethyl)oxan-3-yl]oxy-triethylsilane (CID 134841777) is [(3R)-6-(difluoromethylidene)-4,5-bis(triethylsilyloxy)-2-(triethylsilyloxymethyl)oxan-3-yl]oxy-triethylsilane.
What is the SMILES notation for [(3R)-6-(difluoromethylidene)-4,5-bis(triethylsilyloxy)-2-(triethylsilyloxymethyl)oxan-3-yl]oxy-triethylsilane?
The canonical SMILES for [(3R)-6-(difluoromethylidene)-4,5-bis(triethylsilyloxy)-2-(triethylsilyloxymethyl)oxan-3-yl]oxy-triethylsilane is CC[Si](CC)(CC)OCC1OC(=C(F)F)C(O[Si](CC)(CC)CC)C(O[Si](CC)(CC)CC)[C@@H]1O[Si](CC)(CC)CC.
What is the InChIKey of [(3R)-6-(difluoromethylidene)-4,5-bis(triethylsilyloxy)-2-(triethylsilyloxymethyl)oxan-3-yl]oxy-triethylsilane?
The InChIKey is RYGCRYWIJZBDHG-YGSKOOTNSA-N. The full InChI is InChI=1S/C31H66F2O5Si4/c1-13-39(14-2,15-3)34-25-26-27(36-40(16-4,17-5)18-6)28(37-41(19-7,20-8)21-9)29(30(35-26)31(32)33)38-42(22-10,23-11)24-12/h26-29H,13-25H2,1-12H3/t26?,27-,28?,29?/m1/s1.
What are the key properties of [(3R)-6-(difluoromethylidene)-4,5-bis(triethylsilyloxy)-2-(triethylsilyloxymethyl)oxan-3-yl]oxy-triethylsilane?
[(3R)-6-(difluoromethylidene)-4,5-bis(triethylsilyloxy)-2-(triethylsilyloxymethyl)oxan-3-yl]oxy-triethylsilane has a molecular weight of 669.20 g/mol, XLogP of 10.69, 21 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [(3R)-6-(difluoromethylidene)-4,5-bis(triethylsilyloxy)-2-(triethylsilyloxymethyl)oxan-3-yl]oxy-triethylsilane is sourced from PubChem (CID 134841777), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).