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

C33H72O6Si4 — CID 67763208

IUPACtriethyl-[(2S,3R,4S,5R,6R)-2-prop-1-enoxy-3,5-bis(triethylsilyloxy)-6-(triethylsilyloxymethyl)oxan-4-yl]oxysilane
SMILESCC=CO[C@H]1O[C@H](CO[Si](CC)(CC)CC)[C@@H](O[Si](CC)(CC)CC)[C@H](O[Si](CC)(CC)CC)[C@H]1O[Si](CC)(CC)CC
InChIInChI=1S/C33H72O6Si4/c1-14-27-34-33-32(39-43(24-11,25-12)26-13)31(38-42(21-8,22-9)23-10)30(37-41(18-5,19-6)20-7)29(36-33)28-35-40(15-2,16-3)17-4/h14,27,29-33H,15-26,28H2,1-13H3/t29-,30-,31+,32-,33+/m1/s1
InChIKeyQDLYSNRDBQERPW-AALIFHQRSA-N
MW677.28 g/mol
LogP10.45
Rot. Bonds23

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

triethyl-[(2S,3R,4S,5R,6R)-2-prop-1-enoxy-3,5-bis(triethylsilyloxy)-6-(triethylsilyloxymethyl)oxan-4-yl]oxysilane (PubChem CID 67763208) has the molecular formula C33H72O6Si4 and a molecular weight of 677.28 g/mol. Its IUPAC name is triethyl-[(2S,3R,4S,5R,6R)-2-prop-1-enoxy-3,5-bis(triethylsilyloxy)-6-(triethylsilyloxymethyl)oxan-4-yl]oxysilane.

Molecular Properties

Compound Nametriethyl-[(2S,3R,4S,5R,6R)-2-prop-1-enoxy-3,5-bis(triethylsilyloxy)-6-(triethylsilyloxymethyl)oxan-4-yl]oxysilane
PubChem CID67763208
Molecular FormulaC33H72O6Si4
Molecular Weight677.28 g/mol
Exact Mass676.44
IUPAC Nametriethyl-[(2S,3R,4S,5R,6R)-2-prop-1-enoxy-3,5-bis(triethylsilyloxy)-6-(triethylsilyloxymethyl)oxan-4-yl]oxysilane
SMILESCC=CO[C@H]1O[C@H](CO[Si](CC)(CC)CC)[C@@H](O[Si](CC)(CC)CC)[C@H](O[Si](CC)(CC)CC)[C@H]1O[Si](CC)(CC)CC
InChIInChI=1S/C33H72O6Si4/c1-14-27-34-33-32(39-43(24-11,25-12)26-13)31(38-42(21-8,22-9)23-10)30(37-41(18-5,19-6)20-7)29(36-33)28-35-40(15-2,16-3)17-4/h14,27,29-33H,15-26,28H2,1-13H3/t29-,30-,31+,32-,33+/m1/s1
InChIKeyQDLYSNRDBQERPW-AALIFHQRSA-N
XLogP10.45
TPSA55.38 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds23
Heavy Atoms43
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500677.28
LogP ≤ 510.45
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'acyclic_C=C-O', 'substructure': 'N/A'}, {'alert_name': 'heavy_metal', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of triethyl-[(2S,3R,4S,5R,6R)-2-prop-1-enoxy-3,5-bis(triethylsilyloxy)-6-(triethylsilyloxymethyl)oxan-4-yl]oxysilane?
The IUPAC name of triethyl-[(2S,3R,4S,5R,6R)-2-prop-1-enoxy-3,5-bis(triethylsilyloxy)-6-(triethylsilyloxymethyl)oxan-4-yl]oxysilane (CID 67763208) is triethyl-[(2S,3R,4S,5R,6R)-2-prop-1-enoxy-3,5-bis(triethylsilyloxy)-6-(triethylsilyloxymethyl)oxan-4-yl]oxysilane.
What is the SMILES notation for triethyl-[(2S,3R,4S,5R,6R)-2-prop-1-enoxy-3,5-bis(triethylsilyloxy)-6-(triethylsilyloxymethyl)oxan-4-yl]oxysilane?
The canonical SMILES for triethyl-[(2S,3R,4S,5R,6R)-2-prop-1-enoxy-3,5-bis(triethylsilyloxy)-6-(triethylsilyloxymethyl)oxan-4-yl]oxysilane is CC=CO[C@H]1O[C@H](CO[Si](CC)(CC)CC)[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-[(2S,3R,4S,5R,6R)-2-prop-1-enoxy-3,5-bis(triethylsilyloxy)-6-(triethylsilyloxymethyl)oxan-4-yl]oxysilane?
The InChIKey is QDLYSNRDBQERPW-AALIFHQRSA-N. The full InChI is InChI=1S/C33H72O6Si4/c1-14-27-34-33-32(39-43(24-11,25-12)26-13)31(38-42(21-8,22-9)23-10)30(37-41(18-5,19-6)20-7)29(36-33)28-35-40(15-2,16-3)17-4/h14,27,29-33H,15-26,28H2,1-13H3/t29-,30-,31+,32-,33+/m1/s1.
What are the key properties of triethyl-[(2S,3R,4S,5R,6R)-2-prop-1-enoxy-3,5-bis(triethylsilyloxy)-6-(triethylsilyloxymethyl)oxan-4-yl]oxysilane?
triethyl-[(2S,3R,4S,5R,6R)-2-prop-1-enoxy-3,5-bis(triethylsilyloxy)-6-(triethylsilyloxymethyl)oxan-4-yl]oxysilane has a molecular weight of 677.28 g/mol, XLogP of 10.45, 23 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for triethyl-[(2S,3R,4S,5R,6R)-2-prop-1-enoxy-3,5-bis(triethylsilyloxy)-6-(triethylsilyloxymethyl)oxan-4-yl]oxysilane is sourced from PubChem (CID 67763208), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).