(2R,3S,4S,5R)-3,5-bis[[tert-butyl(dimethyl)silyl]oxy]-6-(2,2-dimethyl-6-oxo-1,3-dioxin-4-yl)-2,4-dimethylhexanal

C26H50O6Si2 — CID 16750623

IUPAC(2R,3S,4S,5R)-3,5-bis[[tert-butyl(dimethyl)silyl]oxy]-6-(2,2-dimethyl-6-oxo-1,3-dioxin-4-yl)-2,4-dimethylhexanal
SMILESC[C@H]([C@H](O[Si](C)(C)C(C)(C)C)[C@@H](C)C=O)[C@@H](CC1=CC(=O)OC(C)(C)O1)O[Si](C)(C)C(C)(C)C
InChIInChI=1S/C26H50O6Si2/c1-18(17-27)23(32-34(13,14)25(6,7)8)19(2)21(31-33(11,12)24(3,4)5)15-20-16-22(28)30-26(9,10)29-20/h16-19,21,23H,15H2,1-14H3/t18-,19-,21+,23+/m0/s1
InChIKeyTYGIJXDSXQETLK-SQXWHWBNSA-N
MW514.85 g/mol
LogP6.82
Rot. Bonds10

About (2R,3S,4S,5R)-3,5-bis[[tert-butyl(dimethyl)silyl]oxy]-6-(2,2-dimethyl-6-oxo-1,3-dioxin-4-yl)-2,4-dimethylhexanal

(2R,3S,4S,5R)-3,5-bis[[tert-butyl(dimethyl)silyl]oxy]-6-(2,2-dimethyl-6-oxo-1,3-dioxin-4-yl)-2,4-dimethylhexanal (PubChem CID 16750623) has the molecular formula C26H50O6Si2 and a molecular weight of 514.85 g/mol. Its IUPAC name is (2R,3S,4S,5R)-3,5-bis[[tert-butyl(dimethyl)silyl]oxy]-6-(2,2-dimethyl-6-oxo-1,3-dioxin-4-yl)-2,4-dimethylhexanal.

Molecular Properties

Compound Name(2R,3S,4S,5R)-3,5-bis[[tert-butyl(dimethyl)silyl]oxy]-6-(2,2-dimethyl-6-oxo-1,3-dioxin-4-yl)-2,4-dimethylhexanal
PubChem CID16750623
Molecular FormulaC26H50O6Si2
Molecular Weight514.85 g/mol
Exact Mass514.31
IUPAC Name(2R,3S,4S,5R)-3,5-bis[[tert-butyl(dimethyl)silyl]oxy]-6-(2,2-dimethyl-6-oxo-1,3-dioxin-4-yl)-2,4-dimethylhexanal
SMILESC[C@H]([C@H](O[Si](C)(C)C(C)(C)C)[C@@H](C)C=O)[C@@H](CC1=CC(=O)OC(C)(C)O1)O[Si](C)(C)C(C)(C)C
InChIInChI=1S/C26H50O6Si2/c1-18(17-27)23(32-34(13,14)25(6,7)8)19(2)21(31-33(11,12)24(3,4)5)15-20-16-22(28)30-26(9,10)29-20/h16-19,21,23H,15H2,1-14H3/t18-,19-,21+,23+/m0/s1
InChIKeyTYGIJXDSXQETLK-SQXWHWBNSA-N
XLogP6.82
TPSA71.06 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds10
Heavy Atoms34
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500514.85
LogP ≤ 56.82
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

Analyze (2R,3S,4S,5R)-3,5-bis[[tert-butyl(dimethyl)silyl]oxy]-6-(2,2-dimethyl-6-oxo-1,3-dioxin-4-yl)-2,4-dimethylhexanal with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of (2R,3S,4S,5R)-3,5-bis[[tert-butyl(dimethyl)silyl]oxy]-6-(2,2-dimethyl-6-oxo-1,3-dioxin-4-yl)-2,4-dimethylhexanal?
The IUPAC name of (2R,3S,4S,5R)-3,5-bis[[tert-butyl(dimethyl)silyl]oxy]-6-(2,2-dimethyl-6-oxo-1,3-dioxin-4-yl)-2,4-dimethylhexanal (CID 16750623) is (2R,3S,4S,5R)-3,5-bis[[tert-butyl(dimethyl)silyl]oxy]-6-(2,2-dimethyl-6-oxo-1,3-dioxin-4-yl)-2,4-dimethylhexanal.
What is the SMILES notation for (2R,3S,4S,5R)-3,5-bis[[tert-butyl(dimethyl)silyl]oxy]-6-(2,2-dimethyl-6-oxo-1,3-dioxin-4-yl)-2,4-dimethylhexanal?
The canonical SMILES for (2R,3S,4S,5R)-3,5-bis[[tert-butyl(dimethyl)silyl]oxy]-6-(2,2-dimethyl-6-oxo-1,3-dioxin-4-yl)-2,4-dimethylhexanal is C[C@H]([C@H](O[Si](C)(C)C(C)(C)C)[C@@H](C)C=O)[C@@H](CC1=CC(=O)OC(C)(C)O1)O[Si](C)(C)C(C)(C)C.
What is the InChIKey of (2R,3S,4S,5R)-3,5-bis[[tert-butyl(dimethyl)silyl]oxy]-6-(2,2-dimethyl-6-oxo-1,3-dioxin-4-yl)-2,4-dimethylhexanal?
The InChIKey is TYGIJXDSXQETLK-SQXWHWBNSA-N. The full InChI is InChI=1S/C26H50O6Si2/c1-18(17-27)23(32-34(13,14)25(6,7)8)19(2)21(31-33(11,12)24(3,4)5)15-20-16-22(28)30-26(9,10)29-20/h16-19,21,23H,15H2,1-14H3/t18-,19-,21+,23+/m0/s1.
What are the key properties of (2R,3S,4S,5R)-3,5-bis[[tert-butyl(dimethyl)silyl]oxy]-6-(2,2-dimethyl-6-oxo-1,3-dioxin-4-yl)-2,4-dimethylhexanal?
(2R,3S,4S,5R)-3,5-bis[[tert-butyl(dimethyl)silyl]oxy]-6-(2,2-dimethyl-6-oxo-1,3-dioxin-4-yl)-2,4-dimethylhexanal has a molecular weight of 514.85 g/mol, XLogP of 6.82, 10 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for (2R,3S,4S,5R)-3,5-bis[[tert-butyl(dimethyl)silyl]oxy]-6-(2,2-dimethyl-6-oxo-1,3-dioxin-4-yl)-2,4-dimethylhexanal is sourced from PubChem (CID 16750623), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).