2,3,5,6-tetrakis(trimethylsilyloxy)-4-[3,4,5-tris(trimethylsilyloxy)-6-(trimethylsilyloxymethyl)oxan-2-yl]oxyhexanal

C36H86O11Si8 — CID 609203

IUPAC2,3,5,6-tetrakis(trimethylsilyloxy)-4-[3,4,5-tris(trimethylsilyloxy)-6-(trimethylsilyloxymethyl)oxan-2-yl]oxyhexanal
SMILESC[Si](C)(C)OCC(O[Si](C)(C)C)C(OC1OC(CO[Si](C)(C)C)C(O[Si](C)(C)C)C(O[Si](C)(C)C)C1O[Si](C)(C)C)C(O[Si](C)(C)C)C(C=O)O[Si](C)(C)C
InChIInChI=1S/C36H86O11Si8/c1-48(2,3)38-26-29-33(45-53(16,17)18)34(46-54(19,20)21)35(47-55(22,23)24)36(40-29)41-31(30(43-51(10,11)12)27-39-49(4,5)6)32(44-52(13,14)15)28(25-37)42-50(7,8)9/h25,28-36H,26-27H2,1-24H3
InChIKeyWYWLKMPVLWYQIP-UHFFFAOYSA-N
MW919.76 g/mol
LogP9.32
Rot. Bonds24

About 2,3,5,6-tetrakis(trimethylsilyloxy)-4-[3,4,5-tris(trimethylsilyloxy)-6-(trimethylsilyloxymethyl)oxan-2-yl]oxyhexanal

2,3,5,6-tetrakis(trimethylsilyloxy)-4-[3,4,5-tris(trimethylsilyloxy)-6-(trimethylsilyloxymethyl)oxan-2-yl]oxyhexanal (PubChem CID 609203) has the molecular formula C36H86O11Si8 and a molecular weight of 919.76 g/mol. Its IUPAC name is 2,3,5,6-tetrakis(trimethylsilyloxy)-4-[3,4,5-tris(trimethylsilyloxy)-6-(trimethylsilyloxymethyl)oxan-2-yl]oxyhexanal.

Molecular Properties

Compound Name2,3,5,6-tetrakis(trimethylsilyloxy)-4-[3,4,5-tris(trimethylsilyloxy)-6-(trimethylsilyloxymethyl)oxan-2-yl]oxyhexanal
PubChem CID609203
Molecular FormulaC36H86O11Si8
Molecular Weight919.76 g/mol
Exact Mass918.43
IUPAC Name2,3,5,6-tetrakis(trimethylsilyloxy)-4-[3,4,5-tris(trimethylsilyloxy)-6-(trimethylsilyloxymethyl)oxan-2-yl]oxyhexanal
SMILESC[Si](C)(C)OCC(O[Si](C)(C)C)C(OC1OC(CO[Si](C)(C)C)C(O[Si](C)(C)C)C(O[Si](C)(C)C)C1O[Si](C)(C)C)C(O[Si](C)(C)C)C(C=O)O[Si](C)(C)C
InChIInChI=1S/C36H86O11Si8/c1-48(2,3)38-26-29-33(45-53(16,17)18)34(46-54(19,20)21)35(47-55(22,23)24)36(40-29)41-31(30(43-51(10,11)12)27-39-49(4,5)6)32(44-52(13,14)15)28(25-37)42-50(7,8)9/h25,28-36H,26-27H2,1-24H3
InChIKeyWYWLKMPVLWYQIP-UHFFFAOYSA-N
XLogP9.32
TPSA109.37 Ų
H-Bond Donors
H-Bond Acceptors11
Rotatable Bonds24
Heavy Atoms55
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 500919.76
LogP ≤ 59.32
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 1011

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 2,3,5,6-tetrakis(trimethylsilyloxy)-4-[3,4,5-tris(trimethylsilyloxy)-6-(trimethylsilyloxymethyl)oxan-2-yl]oxyhexanal?
The IUPAC name of 2,3,5,6-tetrakis(trimethylsilyloxy)-4-[3,4,5-tris(trimethylsilyloxy)-6-(trimethylsilyloxymethyl)oxan-2-yl]oxyhexanal (CID 609203) is 2,3,5,6-tetrakis(trimethylsilyloxy)-4-[3,4,5-tris(trimethylsilyloxy)-6-(trimethylsilyloxymethyl)oxan-2-yl]oxyhexanal.
What is the SMILES notation for 2,3,5,6-tetrakis(trimethylsilyloxy)-4-[3,4,5-tris(trimethylsilyloxy)-6-(trimethylsilyloxymethyl)oxan-2-yl]oxyhexanal?
The canonical SMILES for 2,3,5,6-tetrakis(trimethylsilyloxy)-4-[3,4,5-tris(trimethylsilyloxy)-6-(trimethylsilyloxymethyl)oxan-2-yl]oxyhexanal is C[Si](C)(C)OCC(O[Si](C)(C)C)C(OC1OC(CO[Si](C)(C)C)C(O[Si](C)(C)C)C(O[Si](C)(C)C)C1O[Si](C)(C)C)C(O[Si](C)(C)C)C(C=O)O[Si](C)(C)C.
What is the InChIKey of 2,3,5,6-tetrakis(trimethylsilyloxy)-4-[3,4,5-tris(trimethylsilyloxy)-6-(trimethylsilyloxymethyl)oxan-2-yl]oxyhexanal?
The InChIKey is WYWLKMPVLWYQIP-UHFFFAOYSA-N. The full InChI is InChI=1S/C36H86O11Si8/c1-48(2,3)38-26-29-33(45-53(16,17)18)34(46-54(19,20)21)35(47-55(22,23)24)36(40-29)41-31(30(43-51(10,11)12)27-39-49(4,5)6)32(44-52(13,14)15)28(25-37)42-50(7,8)9/h25,28-36H,26-27H2,1-24H3.
What are the key properties of 2,3,5,6-tetrakis(trimethylsilyloxy)-4-[3,4,5-tris(trimethylsilyloxy)-6-(trimethylsilyloxymethyl)oxan-2-yl]oxyhexanal?
2,3,5,6-tetrakis(trimethylsilyloxy)-4-[3,4,5-tris(trimethylsilyloxy)-6-(trimethylsilyloxymethyl)oxan-2-yl]oxyhexanal has a molecular weight of 919.76 g/mol, XLogP of 9.32, 24 rotatable bonds, 0 hydrogen bond donors, and 11 hydrogen bond acceptors.
Where does this data come from?
All data for 2,3,5,6-tetrakis(trimethylsilyloxy)-4-[3,4,5-tris(trimethylsilyloxy)-6-(trimethylsilyloxymethyl)oxan-2-yl]oxyhexanal is sourced from PubChem (CID 609203), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).