(3S,4S,5R)-4,6-bis[[tert-butyl(dimethyl)silyl]oxy]-3,5-dimethylhexanal

C20H44O3Si2 — CID 11728831

IUPAC(3S,4S,5R)-4,6-bis[[tert-butyl(dimethyl)silyl]oxy]-3,5-dimethylhexanal
SMILESC[C@H](CO[Si](C)(C)C(C)(C)C)[C@@H](O[Si](C)(C)C(C)(C)C)[C@@H](C)CC=O
InChIInChI=1S/C20H44O3Si2/c1-16(13-14-21)18(23-25(11,12)20(6,7)8)17(2)15-22-24(9,10)19(3,4)5/h14,16-18H,13,15H2,1-12H3/t16-,17+,18-/m0/s1
InChIKeyARZIZKMRAQOZJP-KSZLIROESA-N
MW388.74 g/mol
LogP6.26
Rot. Bonds9

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

(3S,4S,5R)-4,6-bis[[tert-butyl(dimethyl)silyl]oxy]-3,5-dimethylhexanal (PubChem CID 11728831) has the molecular formula C20H44O3Si2 and a molecular weight of 388.74 g/mol. Its IUPAC name is (3S,4S,5R)-4,6-bis[[tert-butyl(dimethyl)silyl]oxy]-3,5-dimethylhexanal.

Molecular Properties

Compound Name(3S,4S,5R)-4,6-bis[[tert-butyl(dimethyl)silyl]oxy]-3,5-dimethylhexanal
PubChem CID11728831
Molecular FormulaC20H44O3Si2
Molecular Weight388.74 g/mol
Exact Mass388.28
IUPAC Name(3S,4S,5R)-4,6-bis[[tert-butyl(dimethyl)silyl]oxy]-3,5-dimethylhexanal
SMILESC[C@H](CO[Si](C)(C)C(C)(C)C)[C@@H](O[Si](C)(C)C(C)(C)C)[C@@H](C)CC=O
InChIInChI=1S/C20H44O3Si2/c1-16(13-14-21)18(23-25(11,12)20(6,7)8)17(2)15-22-24(9,10)19(3,4)5/h14,16-18H,13,15H2,1-12H3/t16-,17+,18-/m0/s1
InChIKeyARZIZKMRAQOZJP-KSZLIROESA-N
XLogP6.26
TPSA35.53 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds9
Heavy Atoms25
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500388.74
LogP ≤ 56.26
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 (3S,4S,5R)-4,6-bis[[tert-butyl(dimethyl)silyl]oxy]-3,5-dimethylhexanal with MolForge

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

Launch Full Analysis

Related Compounds

(4S)-6-[tert-butyl(dimethyl)silyl]oxy-4-methylhexanal
CID 10944672
(3S,4R)-3,5-dimethyl-4-tri(propan-2-yl)silyloxyhexanal
CID 10870323
(5S)-5-methyl-6-tri(propan-2-yl)silyloxyhexanal
CID 11243147
(4R)-6-[tert-butyl(dimethyl)silyl]oxy-4-methylhexanal
CID 14014588
6-[Tert-butyl(dimethyl)silyl]oxy-3-methylhexanal
CID 21579085
(4S,5S,6R)-5,7-bis[[tert-butyl(dimethyl)silyl]oxy]-4,6-dimethylheptan-2-one
CID 24886405
(2R,3S,4S,5S)-3-[tert-butyl(dimethyl)silyl]oxy-2,4-dimethyl-5-triethylsilyloxyhexanal
CID 72701907
cis-(2R,3S)-3-[tert-butyl(dimethyl)silyl]oxy-2-[[tert-butyl(dimethyl)silyl]oxymethyl]cyclopentan-1-one
CID 138963618
6-[2,3-Dimethylbutan-2-yl(dimethyl)silyl]oxy-3-methylhexanal
CID 10468489
6-[Tert-butyl(dimethyl)silyl]oxy-4-methylhexanal
CID 10955811
(2S,3R,5R)-3,5-bis(tert-Butyldimethylsilyloxy)-2-methylhexanal
CID 53329187
2-[2-[Tert-butyl(dimethyl)silyl]oxyethyl]pentanal
CID 88571352

Frequently Asked Questions

What is the IUPAC name of (3S,4S,5R)-4,6-bis[[tert-butyl(dimethyl)silyl]oxy]-3,5-dimethylhexanal?
The IUPAC name of (3S,4S,5R)-4,6-bis[[tert-butyl(dimethyl)silyl]oxy]-3,5-dimethylhexanal (CID 11728831) is (3S,4S,5R)-4,6-bis[[tert-butyl(dimethyl)silyl]oxy]-3,5-dimethylhexanal.
What is the SMILES notation for (3S,4S,5R)-4,6-bis[[tert-butyl(dimethyl)silyl]oxy]-3,5-dimethylhexanal?
The canonical SMILES for (3S,4S,5R)-4,6-bis[[tert-butyl(dimethyl)silyl]oxy]-3,5-dimethylhexanal is C[C@H](CO[Si](C)(C)C(C)(C)C)[C@@H](O[Si](C)(C)C(C)(C)C)[C@@H](C)CC=O.
What is the InChIKey of (3S,4S,5R)-4,6-bis[[tert-butyl(dimethyl)silyl]oxy]-3,5-dimethylhexanal?
The InChIKey is ARZIZKMRAQOZJP-KSZLIROESA-N. The full InChI is InChI=1S/C20H44O3Si2/c1-16(13-14-21)18(23-25(11,12)20(6,7)8)17(2)15-22-24(9,10)19(3,4)5/h14,16-18H,13,15H2,1-12H3/t16-,17+,18-/m0/s1.
What are the key properties of (3S,4S,5R)-4,6-bis[[tert-butyl(dimethyl)silyl]oxy]-3,5-dimethylhexanal?
(3S,4S,5R)-4,6-bis[[tert-butyl(dimethyl)silyl]oxy]-3,5-dimethylhexanal has a molecular weight of 388.74 g/mol, XLogP of 6.26, 9 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (3S,4S,5R)-4,6-bis[[tert-butyl(dimethyl)silyl]oxy]-3,5-dimethylhexanal is sourced from PubChem (CID 11728831), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).