(2S,3R,5R)-3,5-bis[[tert-butyl(dimethyl)silyl]oxy]-2-methylhexanal

C19H42O3Si2 — CID 53329187

IUPAC(2S,3R,5R)-3,5-bis[[tert-butyl(dimethyl)silyl]oxy]-2-methylhexanal
SMILESC[C@H](C[C@@H](O[Si](C)(C)C(C)(C)C)[C@H](C)C=O)O[Si](C)(C)C(C)(C)C
InChIInChI=1S/C19H42O3Si2/c1-15(14-20)17(22-24(11,12)19(6,7)8)13-16(2)21-23(9,10)18(3,4)5/h14-17H,13H2,1-12H3/t15-,16-,17-/m1/s1
InChIKeyRCQSIDJFLJPYHL-BRWVUGGUSA-N
MW374.71 g/mol
LogP6.01
Rot. Bonds8

About (2S,3R,5R)-3,5-bis[[tert-butyl(dimethyl)silyl]oxy]-2-methylhexanal

(2S,3R,5R)-3,5-bis[[tert-butyl(dimethyl)silyl]oxy]-2-methylhexanal (PubChem CID 53329187) has the molecular formula C19H42O3Si2 and a molecular weight of 374.71 g/mol. Its IUPAC name is (2S,3R,5R)-3,5-bis[[tert-butyl(dimethyl)silyl]oxy]-2-methylhexanal.

Molecular Properties

Compound Name(2S,3R,5R)-3,5-bis[[tert-butyl(dimethyl)silyl]oxy]-2-methylhexanal
PubChem CID53329187
Molecular FormulaC19H42O3Si2
Molecular Weight374.71 g/mol
Exact Mass374.27
IUPAC Name(2S,3R,5R)-3,5-bis[[tert-butyl(dimethyl)silyl]oxy]-2-methylhexanal
SMILESC[C@H](C[C@@H](O[Si](C)(C)C(C)(C)C)[C@H](C)C=O)O[Si](C)(C)C(C)(C)C
InChIInChI=1S/C19H42O3Si2/c1-15(14-20)17(22-24(11,12)19(6,7)8)13-16(2)21-23(9,10)18(3,4)5/h14-17H,13H2,1-12H3/t15-,16-,17-/m1/s1
InChIKeyRCQSIDJFLJPYHL-BRWVUGGUSA-N
XLogP6.01
TPSA35.53 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms24
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500374.71
LogP ≤ 56.01
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

Analyze (2S,3R,5R)-3,5-bis[[tert-butyl(dimethyl)silyl]oxy]-2-methylhexanal 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 (2S,3R,5R)-3,5-bis[[tert-butyl(dimethyl)silyl]oxy]-2-methylhexanal?
The IUPAC name of (2S,3R,5R)-3,5-bis[[tert-butyl(dimethyl)silyl]oxy]-2-methylhexanal (CID 53329187) is (2S,3R,5R)-3,5-bis[[tert-butyl(dimethyl)silyl]oxy]-2-methylhexanal.
What is the SMILES notation for (2S,3R,5R)-3,5-bis[[tert-butyl(dimethyl)silyl]oxy]-2-methylhexanal?
The canonical SMILES for (2S,3R,5R)-3,5-bis[[tert-butyl(dimethyl)silyl]oxy]-2-methylhexanal is C[C@H](C[C@@H](O[Si](C)(C)C(C)(C)C)[C@H](C)C=O)O[Si](C)(C)C(C)(C)C.
What is the InChIKey of (2S,3R,5R)-3,5-bis[[tert-butyl(dimethyl)silyl]oxy]-2-methylhexanal?
The InChIKey is RCQSIDJFLJPYHL-BRWVUGGUSA-N. The full InChI is InChI=1S/C19H42O3Si2/c1-15(14-20)17(22-24(11,12)19(6,7)8)13-16(2)21-23(9,10)18(3,4)5/h14-17H,13H2,1-12H3/t15-,16-,17-/m1/s1.
What are the key properties of (2S,3R,5R)-3,5-bis[[tert-butyl(dimethyl)silyl]oxy]-2-methylhexanal?
(2S,3R,5R)-3,5-bis[[tert-butyl(dimethyl)silyl]oxy]-2-methylhexanal has a molecular weight of 374.71 g/mol, XLogP of 6.01, 8 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2S,3R,5R)-3,5-bis[[tert-butyl(dimethyl)silyl]oxy]-2-methylhexanal is sourced from PubChem (CID 53329187), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).