6-[5-[1,2-bis(trimethylsilyloxy)ethyl]-3,4-bis(trimethylsilyloxy)oxolan-2-yl]oxy-2,3,4,5-tetrakis(trimethylsilyloxy)hexanal

C36H86O11Si8 — CID 636055

IUPAC6-[5-[1,2-bis(trimethylsilyloxy)ethyl]-3,4-bis(trimethylsilyloxy)oxolan-2-yl]oxy-2,3,4,5-tetrakis(trimethylsilyloxy)hexanal
SMILESC[Si](C)(C)OCC(O[Si](C)(C)C)C1OC(OCC(O[Si](C)(C)C)C(O[Si](C)(C)C)C(O[Si](C)(C)C)C(C=O)O[Si](C)(C)C)C(O[Si](C)(C)C)C1O[Si](C)(C)C
InChIInChI=1S/C36H86O11Si8/c1-48(2,3)39-27-30(43-51(10,11)12)31-34(46-54(19,20)21)35(47-55(22,23)24)36(40-31)38-26-29(42-50(7,8)9)33(45-53(16,17)18)32(44-52(13,14)15)28(25-37)41-49(4,5)6/h25,28-36H,26-27H2,1-24H3
InChIKeyYTHHYWPPRZKKKD-UHFFFAOYSA-N
MW919.76 g/mol
LogP9.32
Rot. Bonds25

About 6-[5-[1,2-bis(trimethylsilyloxy)ethyl]-3,4-bis(trimethylsilyloxy)oxolan-2-yl]oxy-2,3,4,5-tetrakis(trimethylsilyloxy)hexanal

6-[5-[1,2-bis(trimethylsilyloxy)ethyl]-3,4-bis(trimethylsilyloxy)oxolan-2-yl]oxy-2,3,4,5-tetrakis(trimethylsilyloxy)hexanal (PubChem CID 636055) has the molecular formula C36H86O11Si8 and a molecular weight of 919.76 g/mol. Its IUPAC name is 6-[5-[1,2-bis(trimethylsilyloxy)ethyl]-3,4-bis(trimethylsilyloxy)oxolan-2-yl]oxy-2,3,4,5-tetrakis(trimethylsilyloxy)hexanal.

Molecular Properties

Compound Name6-[5-[1,2-bis(trimethylsilyloxy)ethyl]-3,4-bis(trimethylsilyloxy)oxolan-2-yl]oxy-2,3,4,5-tetrakis(trimethylsilyloxy)hexanal
PubChem CID636055
Molecular FormulaC36H86O11Si8
Molecular Weight919.76 g/mol
Exact Mass918.43
IUPAC Name6-[5-[1,2-bis(trimethylsilyloxy)ethyl]-3,4-bis(trimethylsilyloxy)oxolan-2-yl]oxy-2,3,4,5-tetrakis(trimethylsilyloxy)hexanal
SMILESC[Si](C)(C)OCC(O[Si](C)(C)C)C1OC(OCC(O[Si](C)(C)C)C(O[Si](C)(C)C)C(O[Si](C)(C)C)C(C=O)O[Si](C)(C)C)C(O[Si](C)(C)C)C1O[Si](C)(C)C
InChIInChI=1S/C36H86O11Si8/c1-48(2,3)39-27-30(43-51(10,11)12)31-34(46-54(19,20)21)35(47-55(22,23)24)36(40-31)38-26-29(42-50(7,8)9)33(45-53(16,17)18)32(44-52(13,14)15)28(25-37)41-49(4,5)6/h25,28-36H,26-27H2,1-24H3
InChIKeyYTHHYWPPRZKKKD-UHFFFAOYSA-N
XLogP9.32
TPSA109.37 Ų
H-Bond Donors
H-Bond Acceptors11
Rotatable Bonds25
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'}

Analyze 6-[5-[1,2-bis(trimethylsilyloxy)ethyl]-3,4-bis(trimethylsilyloxy)oxolan-2-yl]oxy-2,3,4,5-tetrakis(trimethylsilyloxy)hexanal with MolForge

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Related Compounds

(2R)-2-[tert-butyl(dimethyl)silyl]oxy-2-[(4R,5R)-5-[(1S)-1-[tert-butyl(dimethyl)silyl]oxyethyl]-2,2-dimethyl-1,3-dioxolan-4-yl]acetaldehyde
CID 11305043
D(+)-Turanose, TMS
CID 22296522
D-Leucrose, TMS
CID 91750478
alpha-Kojibiose TMS
CID 91747558
beta-Kojibiose TMS
CID 91747568
Maltulose TMS, #1
CID 91747577
Laminaribiose (8tms)-1
CID 91749909
Xylobiose (6tms)-1
CID 91749915
Maltotriose (11tms)
CID 91749922
Maltotriose 11tms-1
CID 91750414
Turanose 8tms-2
CID 91750418
2-Furanacetaldehyde, tetrahydro-alpha,3,4,5-tetrakis[(trimethylsilyl)oxy]-
CID 553416

Frequently Asked Questions

What is the IUPAC name of 6-[5-[1,2-bis(trimethylsilyloxy)ethyl]-3,4-bis(trimethylsilyloxy)oxolan-2-yl]oxy-2,3,4,5-tetrakis(trimethylsilyloxy)hexanal?
The IUPAC name of 6-[5-[1,2-bis(trimethylsilyloxy)ethyl]-3,4-bis(trimethylsilyloxy)oxolan-2-yl]oxy-2,3,4,5-tetrakis(trimethylsilyloxy)hexanal (CID 636055) is 6-[5-[1,2-bis(trimethylsilyloxy)ethyl]-3,4-bis(trimethylsilyloxy)oxolan-2-yl]oxy-2,3,4,5-tetrakis(trimethylsilyloxy)hexanal.
What is the SMILES notation for 6-[5-[1,2-bis(trimethylsilyloxy)ethyl]-3,4-bis(trimethylsilyloxy)oxolan-2-yl]oxy-2,3,4,5-tetrakis(trimethylsilyloxy)hexanal?
The canonical SMILES for 6-[5-[1,2-bis(trimethylsilyloxy)ethyl]-3,4-bis(trimethylsilyloxy)oxolan-2-yl]oxy-2,3,4,5-tetrakis(trimethylsilyloxy)hexanal is C[Si](C)(C)OCC(O[Si](C)(C)C)C1OC(OCC(O[Si](C)(C)C)C(O[Si](C)(C)C)C(O[Si](C)(C)C)C(C=O)O[Si](C)(C)C)C(O[Si](C)(C)C)C1O[Si](C)(C)C.
What is the InChIKey of 6-[5-[1,2-bis(trimethylsilyloxy)ethyl]-3,4-bis(trimethylsilyloxy)oxolan-2-yl]oxy-2,3,4,5-tetrakis(trimethylsilyloxy)hexanal?
The InChIKey is YTHHYWPPRZKKKD-UHFFFAOYSA-N. The full InChI is InChI=1S/C36H86O11Si8/c1-48(2,3)39-27-30(43-51(10,11)12)31-34(46-54(19,20)21)35(47-55(22,23)24)36(40-31)38-26-29(42-50(7,8)9)33(45-53(16,17)18)32(44-52(13,14)15)28(25-37)41-49(4,5)6/h25,28-36H,26-27H2,1-24H3.
What are the key properties of 6-[5-[1,2-bis(trimethylsilyloxy)ethyl]-3,4-bis(trimethylsilyloxy)oxolan-2-yl]oxy-2,3,4,5-tetrakis(trimethylsilyloxy)hexanal?
6-[5-[1,2-bis(trimethylsilyloxy)ethyl]-3,4-bis(trimethylsilyloxy)oxolan-2-yl]oxy-2,3,4,5-tetrakis(trimethylsilyloxy)hexanal has a molecular weight of 919.76 g/mol, XLogP of 9.32, 25 rotatable bonds, 0 hydrogen bond donors, and 11 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[5-[1,2-bis(trimethylsilyloxy)ethyl]-3,4-bis(trimethylsilyloxy)oxolan-2-yl]oxy-2,3,4,5-tetrakis(trimethylsilyloxy)hexanal is sourced from PubChem (CID 636055), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).