[(1S,3R,4S,5R,6R)-4,5-bis[[tert-butyl(dimethyl)silyl]oxy]-2,7-dioxabicyclo[4.1.0]heptan-3-yl]methoxy-tert-butyl-dimethylsilane

C24H52O5Si3 — CID 134878305

IUPAC[(1S,3R,4S,5R,6R)-4,5-bis[[tert-butyl(dimethyl)silyl]oxy]-2,7-dioxabicyclo[4.1.0]heptan-3-yl]methoxy-tert-butyl-dimethylsilane
SMILESCC(C)(C)[Si](C)(C)OC[C@H]1O[C@@H]2O[C@@H]2[C@@H](O[Si](C)(C)C(C)(C)C)[C@H]1O[Si](C)(C)C(C)(C)C
InChIInChI=1S/C24H52O5Si3/c1-22(2,3)30(10,11)25-16-17-18(28-31(12,13)23(4,5)6)19(20-21(26-17)27-20)29-32(14,15)24(7,8)9/h17-21H,16H2,1-15H3/t17-,18+,19+,20-,21-/m1/s1
InChIKeyUKQSMOCKDYHOTE-XDWAVFMPSA-N
MW504.93 g/mol
LogP6.91
Rot. Bonds7

About [(1S,3R,4S,5R,6R)-4,5-bis[[tert-butyl(dimethyl)silyl]oxy]-2,7-dioxabicyclo[4.1.0]heptan-3-yl]methoxy-tert-butyl-dimethylsilane

[(1S,3R,4S,5R,6R)-4,5-bis[[tert-butyl(dimethyl)silyl]oxy]-2,7-dioxabicyclo[4.1.0]heptan-3-yl]methoxy-tert-butyl-dimethylsilane (PubChem CID 134878305) has the molecular formula C24H52O5Si3 and a molecular weight of 504.93 g/mol. Its IUPAC name is [(1S,3R,4S,5R,6R)-4,5-bis[[tert-butyl(dimethyl)silyl]oxy]-2,7-dioxabicyclo[4.1.0]heptan-3-yl]methoxy-tert-butyl-dimethylsilane.

Molecular Properties

Compound Name[(1S,3R,4S,5R,6R)-4,5-bis[[tert-butyl(dimethyl)silyl]oxy]-2,7-dioxabicyclo[4.1.0]heptan-3-yl]methoxy-tert-butyl-dimethylsilane
PubChem CID134878305
Molecular FormulaC24H52O5Si3
Molecular Weight504.93 g/mol
Exact Mass504.31
IUPAC Name[(1S,3R,4S,5R,6R)-4,5-bis[[tert-butyl(dimethyl)silyl]oxy]-2,7-dioxabicyclo[4.1.0]heptan-3-yl]methoxy-tert-butyl-dimethylsilane
SMILESCC(C)(C)[Si](C)(C)OC[C@H]1O[C@@H]2O[C@@H]2[C@@H](O[Si](C)(C)C(C)(C)C)[C@H]1O[Si](C)(C)C(C)(C)C
InChIInChI=1S/C24H52O5Si3/c1-22(2,3)30(10,11)25-16-17-18(28-31(12,13)23(4,5)6)19(20-21(26-17)27-20)29-32(14,15)24(7,8)9/h17-21H,16H2,1-15H3/t17-,18+,19+,20-,21-/m1/s1
InChIKeyUKQSMOCKDYHOTE-XDWAVFMPSA-N
XLogP6.91
TPSA49.45 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms32
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500504.93
LogP ≤ 56.91
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'heavy_metal', 'substructure': 'N/A'}, {'alert_name': 'Three-membered_heterocycle', 'substructure': 'N/A'}

Analyze [(1S,3R,4S,5R,6R)-4,5-bis[[tert-butyl(dimethyl)silyl]oxy]-2,7-dioxabicyclo[4.1.0]heptan-3-yl]methoxy-tert-butyl-dimethylsilane with MolForge

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Related Compounds

alpha-D-Glucopyranose, 1,2,3,4,6-pentakis-O-(trimethylsilyl)-
CID 11038830
((2S,3R,4S,5R,6R)-2-methoxy-3,5-bis(trimethylsilyloxy)-6-(trimethylsilyloxymethyl)oxan-4-yl)oxy-trimethylsilane
CID 11730569
beta-D-Glucopyranose, TMS
CID 13587619
1,2,3,4,6-Pentakis-O-(trimethylsilyl)hexopyranose
CID 520562
alpha-Galactose, TMS
CID 6427851
Glyceryl-glycoside TMS ether
CID 91733362
D-Galactose, TMS
CID 91747814
trimethyl-[(2S,3R,4R,5S)-2-methyl-3,5,6-tris(trimethylsilyloxy)oxan-4-yl]oxysilane
CID 11733119
Trimethylsilyl-L-(+)-rhamnose
CID 11858821
[(1S,3R,4R,5R,6R)-4,5-bis[[tert-butyl(dimethyl)silyl]oxy]-2,7-dioxabicyclo[4.1.0]heptan-3-yl]methoxy-tert-butyl-dimethylsilane
CID 11027555
Trimethylsilyl-L(+)rhamnose
CID 525317
2-Deoxy-galactopyranose, tetrakis(trimethylsilyl)
CID 553409

Frequently Asked Questions

What is the IUPAC name of [(1S,3R,4S,5R,6R)-4,5-bis[[tert-butyl(dimethyl)silyl]oxy]-2,7-dioxabicyclo[4.1.0]heptan-3-yl]methoxy-tert-butyl-dimethylsilane?
The IUPAC name of [(1S,3R,4S,5R,6R)-4,5-bis[[tert-butyl(dimethyl)silyl]oxy]-2,7-dioxabicyclo[4.1.0]heptan-3-yl]methoxy-tert-butyl-dimethylsilane (CID 134878305) is [(1S,3R,4S,5R,6R)-4,5-bis[[tert-butyl(dimethyl)silyl]oxy]-2,7-dioxabicyclo[4.1.0]heptan-3-yl]methoxy-tert-butyl-dimethylsilane.
What is the SMILES notation for [(1S,3R,4S,5R,6R)-4,5-bis[[tert-butyl(dimethyl)silyl]oxy]-2,7-dioxabicyclo[4.1.0]heptan-3-yl]methoxy-tert-butyl-dimethylsilane?
The canonical SMILES for [(1S,3R,4S,5R,6R)-4,5-bis[[tert-butyl(dimethyl)silyl]oxy]-2,7-dioxabicyclo[4.1.0]heptan-3-yl]methoxy-tert-butyl-dimethylsilane is CC(C)(C)[Si](C)(C)OC[C@H]1O[C@@H]2O[C@@H]2[C@@H](O[Si](C)(C)C(C)(C)C)[C@H]1O[Si](C)(C)C(C)(C)C.
What is the InChIKey of [(1S,3R,4S,5R,6R)-4,5-bis[[tert-butyl(dimethyl)silyl]oxy]-2,7-dioxabicyclo[4.1.0]heptan-3-yl]methoxy-tert-butyl-dimethylsilane?
The InChIKey is UKQSMOCKDYHOTE-XDWAVFMPSA-N. The full InChI is InChI=1S/C24H52O5Si3/c1-22(2,3)30(10,11)25-16-17-18(28-31(12,13)23(4,5)6)19(20-21(26-17)27-20)29-32(14,15)24(7,8)9/h17-21H,16H2,1-15H3/t17-,18+,19+,20-,21-/m1/s1.
What are the key properties of [(1S,3R,4S,5R,6R)-4,5-bis[[tert-butyl(dimethyl)silyl]oxy]-2,7-dioxabicyclo[4.1.0]heptan-3-yl]methoxy-tert-butyl-dimethylsilane?
[(1S,3R,4S,5R,6R)-4,5-bis[[tert-butyl(dimethyl)silyl]oxy]-2,7-dioxabicyclo[4.1.0]heptan-3-yl]methoxy-tert-butyl-dimethylsilane has a molecular weight of 504.93 g/mol, XLogP of 6.91, 7 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [(1S,3R,4S,5R,6R)-4,5-bis[[tert-butyl(dimethyl)silyl]oxy]-2,7-dioxabicyclo[4.1.0]heptan-3-yl]methoxy-tert-butyl-dimethylsilane is sourced from PubChem (CID 134878305), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).