(2S,3R,4S,5R,6R)-2-prop-2-enyl-3,4,5-tris(triethylsilyloxy)-6-(triethylsilyloxymethyl)oxan-2-ol

C33H72O6Si4 — CID 22868382

IUPAC(2S,3R,4S,5R,6R)-2-prop-2-enyl-3,4,5-tris(triethylsilyloxy)-6-(triethylsilyloxymethyl)oxan-2-ol
SMILESC=CC[C@]1(O)O[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/c1-14-27-33(34)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/h14,29-32,34H,1,15-28H2,2-13H3/t29-,30-,31+,32-,33+/m1/s1
InChIKeySITPXJNPDAZMLQ-AALIFHQRSA-N
MW677.28 g/mol
LogP9.84
Rot. Bonds23

About (2S,3R,4S,5R,6R)-2-prop-2-enyl-3,4,5-tris(triethylsilyloxy)-6-(triethylsilyloxymethyl)oxan-2-ol

(2S,3R,4S,5R,6R)-2-prop-2-enyl-3,4,5-tris(triethylsilyloxy)-6-(triethylsilyloxymethyl)oxan-2-ol (PubChem CID 22868382) has the molecular formula C33H72O6Si4 and a molecular weight of 677.28 g/mol. Its IUPAC name is (2S,3R,4S,5R,6R)-2-prop-2-enyl-3,4,5-tris(triethylsilyloxy)-6-(triethylsilyloxymethyl)oxan-2-ol.

Molecular Properties

Compound Name(2S,3R,4S,5R,6R)-2-prop-2-enyl-3,4,5-tris(triethylsilyloxy)-6-(triethylsilyloxymethyl)oxan-2-ol
PubChem CID22868382
Molecular FormulaC33H72O6Si4
Molecular Weight677.28 g/mol
Exact Mass676.44
IUPAC Name(2S,3R,4S,5R,6R)-2-prop-2-enyl-3,4,5-tris(triethylsilyloxy)-6-(triethylsilyloxymethyl)oxan-2-ol
SMILESC=CC[C@]1(O)O[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/c1-14-27-33(34)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/h14,29-32,34H,1,15-28H2,2-13H3/t29-,30-,31+,32-,33+/m1/s1
InChIKeySITPXJNPDAZMLQ-AALIFHQRSA-N
XLogP9.84
TPSA66.38 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds23
Heavy Atoms43
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500677.28
LogP ≤ 59.84
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of (2S,3R,4S,5R,6R)-2-prop-2-enyl-3,4,5-tris(triethylsilyloxy)-6-(triethylsilyloxymethyl)oxan-2-ol?
The IUPAC name of (2S,3R,4S,5R,6R)-2-prop-2-enyl-3,4,5-tris(triethylsilyloxy)-6-(triethylsilyloxymethyl)oxan-2-ol (CID 22868382) is (2S,3R,4S,5R,6R)-2-prop-2-enyl-3,4,5-tris(triethylsilyloxy)-6-(triethylsilyloxymethyl)oxan-2-ol.
What is the SMILES notation for (2S,3R,4S,5R,6R)-2-prop-2-enyl-3,4,5-tris(triethylsilyloxy)-6-(triethylsilyloxymethyl)oxan-2-ol?
The canonical SMILES for (2S,3R,4S,5R,6R)-2-prop-2-enyl-3,4,5-tris(triethylsilyloxy)-6-(triethylsilyloxymethyl)oxan-2-ol is C=CC[C@]1(O)O[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 (2S,3R,4S,5R,6R)-2-prop-2-enyl-3,4,5-tris(triethylsilyloxy)-6-(triethylsilyloxymethyl)oxan-2-ol?
The InChIKey is SITPXJNPDAZMLQ-AALIFHQRSA-N. The full InChI is InChI=1S/C33H72O6Si4/c1-14-27-33(34)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/h14,29-32,34H,1,15-28H2,2-13H3/t29-,30-,31+,32-,33+/m1/s1.
What are the key properties of (2S,3R,4S,5R,6R)-2-prop-2-enyl-3,4,5-tris(triethylsilyloxy)-6-(triethylsilyloxymethyl)oxan-2-ol?
(2S,3R,4S,5R,6R)-2-prop-2-enyl-3,4,5-tris(triethylsilyloxy)-6-(triethylsilyloxymethyl)oxan-2-ol has a molecular weight of 677.28 g/mol, XLogP of 9.84, 23 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for (2S,3R,4S,5R,6R)-2-prop-2-enyl-3,4,5-tris(triethylsilyloxy)-6-(triethylsilyloxymethyl)oxan-2-ol is sourced from PubChem (CID 22868382), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).