3-[6-methyl-3,4,5-tris(trimethylsilyloxy)oxan-2-yl]oxy-2,4,5,6-tetrakis(trimethylsilyloxy)hexanal

C33H78O10Si7 — CID 609444

IUPAC3-[6-methyl-3,4,5-tris(trimethylsilyloxy)oxan-2-yl]oxy-2,4,5,6-tetrakis(trimethylsilyloxy)hexanal
SMILESCC1OC(OC(C(C=O)O[Si](C)(C)C)C(O[Si](C)(C)C)C(CO[Si](C)(C)C)O[Si](C)(C)C)C(O[Si](C)(C)C)C(O[Si](C)(C)C)C1O[Si](C)(C)C
InChIInChI=1S/C33H78O10Si7/c1-25-28(40-47(11,12)13)31(42-49(17,18)19)32(43-50(20,21)22)33(36-25)37-29(26(23-34)38-45(5,6)7)30(41-48(14,15)16)27(39-46(8,9)10)24-35-44(2,3)4/h23,25-33H,24H2,1-22H3
InChIKeyOXBHKWONOUTMLI-UHFFFAOYSA-N
MW831.58 g/mol
LogP8.49
Rot. Bonds21

About 3-[6-methyl-3,4,5-tris(trimethylsilyloxy)oxan-2-yl]oxy-2,4,5,6-tetrakis(trimethylsilyloxy)hexanal

3-[6-methyl-3,4,5-tris(trimethylsilyloxy)oxan-2-yl]oxy-2,4,5,6-tetrakis(trimethylsilyloxy)hexanal (PubChem CID 609444) has the molecular formula C33H78O10Si7 and a molecular weight of 831.58 g/mol. Its IUPAC name is 3-[6-methyl-3,4,5-tris(trimethylsilyloxy)oxan-2-yl]oxy-2,4,5,6-tetrakis(trimethylsilyloxy)hexanal.

Molecular Properties

Compound Name3-[6-methyl-3,4,5-tris(trimethylsilyloxy)oxan-2-yl]oxy-2,4,5,6-tetrakis(trimethylsilyloxy)hexanal
PubChem CID609444
Molecular FormulaC33H78O10Si7
Molecular Weight831.58 g/mol
Exact Mass830.40
IUPAC Name3-[6-methyl-3,4,5-tris(trimethylsilyloxy)oxan-2-yl]oxy-2,4,5,6-tetrakis(trimethylsilyloxy)hexanal
SMILESCC1OC(OC(C(C=O)O[Si](C)(C)C)C(O[Si](C)(C)C)C(CO[Si](C)(C)C)O[Si](C)(C)C)C(O[Si](C)(C)C)C(O[Si](C)(C)C)C1O[Si](C)(C)C
InChIInChI=1S/C33H78O10Si7/c1-25-28(40-47(11,12)13)31(42-49(17,18)19)32(43-50(20,21)22)33(36-25)37-29(26(23-34)38-45(5,6)7)30(41-48(14,15)16)27(39-46(8,9)10)24-35-44(2,3)4/h23,25-33H,24H2,1-22H3
InChIKeyOXBHKWONOUTMLI-UHFFFAOYSA-N
XLogP8.49
TPSA100.14 Ų
H-Bond Donors
H-Bond Acceptors10
Rotatable Bonds21
Heavy Atoms50
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500831.58
LogP ≤ 58.49
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 1010

Computed Properties (RDKit)

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

Analyze 3-[6-methyl-3,4,5-tris(trimethylsilyloxy)oxan-2-yl]oxy-2,4,5,6-tetrakis(trimethylsilyloxy)hexanal with MolForge

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Related Compounds

D-(+)-Galacturonic acid, 5TMS derivative
CID 553415
Methyl glucuronide, TMS
CID 609395
D(+)-Turanose, TMS
CID 22296522
D-Leucrose, TMS
CID 91750478
Glucuronic acid TMS
CID 22214290
alpha-Kojibiose TMS
CID 91747558
beta-Kojibiose TMS
CID 91747568
Maltulose TMS, #1
CID 91747577
beta-Galacturonic acid, TMS
CID 91747578
Laminaribiose (8tms)-1
CID 91749909
Xylobiose (6tms)-1
CID 91749915
Maltotriose (11tms)
CID 91749922

Frequently Asked Questions

What is the IUPAC name of 3-[6-methyl-3,4,5-tris(trimethylsilyloxy)oxan-2-yl]oxy-2,4,5,6-tetrakis(trimethylsilyloxy)hexanal?
The IUPAC name of 3-[6-methyl-3,4,5-tris(trimethylsilyloxy)oxan-2-yl]oxy-2,4,5,6-tetrakis(trimethylsilyloxy)hexanal (CID 609444) is 3-[6-methyl-3,4,5-tris(trimethylsilyloxy)oxan-2-yl]oxy-2,4,5,6-tetrakis(trimethylsilyloxy)hexanal.
What is the SMILES notation for 3-[6-methyl-3,4,5-tris(trimethylsilyloxy)oxan-2-yl]oxy-2,4,5,6-tetrakis(trimethylsilyloxy)hexanal?
The canonical SMILES for 3-[6-methyl-3,4,5-tris(trimethylsilyloxy)oxan-2-yl]oxy-2,4,5,6-tetrakis(trimethylsilyloxy)hexanal is CC1OC(OC(C(C=O)O[Si](C)(C)C)C(O[Si](C)(C)C)C(CO[Si](C)(C)C)O[Si](C)(C)C)C(O[Si](C)(C)C)C(O[Si](C)(C)C)C1O[Si](C)(C)C.
What is the InChIKey of 3-[6-methyl-3,4,5-tris(trimethylsilyloxy)oxan-2-yl]oxy-2,4,5,6-tetrakis(trimethylsilyloxy)hexanal?
The InChIKey is OXBHKWONOUTMLI-UHFFFAOYSA-N. The full InChI is InChI=1S/C33H78O10Si7/c1-25-28(40-47(11,12)13)31(42-49(17,18)19)32(43-50(20,21)22)33(36-25)37-29(26(23-34)38-45(5,6)7)30(41-48(14,15)16)27(39-46(8,9)10)24-35-44(2,3)4/h23,25-33H,24H2,1-22H3.
What are the key properties of 3-[6-methyl-3,4,5-tris(trimethylsilyloxy)oxan-2-yl]oxy-2,4,5,6-tetrakis(trimethylsilyloxy)hexanal?
3-[6-methyl-3,4,5-tris(trimethylsilyloxy)oxan-2-yl]oxy-2,4,5,6-tetrakis(trimethylsilyloxy)hexanal has a molecular weight of 831.58 g/mol, XLogP of 8.49, 21 rotatable bonds, 0 hydrogen bond donors, and 10 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[6-methyl-3,4,5-tris(trimethylsilyloxy)oxan-2-yl]oxy-2,4,5,6-tetrakis(trimethylsilyloxy)hexanal is sourced from PubChem (CID 609444), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).