(3S,4R)-6-[tert-butyl(dimethyl)silyl]oxy-3-methyl-4-tri(propan-2-yl)silyloxyhexanal

C22H48O3Si2 — CID 57379990

IUPAC(3S,4R)-6-[tert-butyl(dimethyl)silyl]oxy-3-methyl-4-tri(propan-2-yl)silyloxyhexanal
SMILESCC(C)[Si](O[C@H](CCO[Si](C)(C)C(C)(C)C)[C@@H](C)CC=O)(C(C)C)C(C)C
InChIInChI=1S/C22H48O3Si2/c1-17(2)27(18(3)4,19(5)6)25-21(20(7)13-15-23)14-16-24-26(11,12)22(8,9)10/h15,17-21H,13-14,16H2,1-12H3/t20-,21+/m0/s1
InChIKeyZLFUVOGLRRIPRM-LEWJYISDSA-N
MW416.80 g/mol
LogP7.18
Rot. Bonds12

About (3S,4R)-6-[tert-butyl(dimethyl)silyl]oxy-3-methyl-4-tri(propan-2-yl)silyloxyhexanal

(3S,4R)-6-[tert-butyl(dimethyl)silyl]oxy-3-methyl-4-tri(propan-2-yl)silyloxyhexanal (PubChem CID 57379990) has the molecular formula C22H48O3Si2 and a molecular weight of 416.80 g/mol. Its IUPAC name is (3S,4R)-6-[tert-butyl(dimethyl)silyl]oxy-3-methyl-4-tri(propan-2-yl)silyloxyhexanal.

Molecular Properties

Compound Name(3S,4R)-6-[tert-butyl(dimethyl)silyl]oxy-3-methyl-4-tri(propan-2-yl)silyloxyhexanal
PubChem CID57379990
Molecular FormulaC22H48O3Si2
Molecular Weight416.80 g/mol
Exact Mass416.31
IUPAC Name(3S,4R)-6-[tert-butyl(dimethyl)silyl]oxy-3-methyl-4-tri(propan-2-yl)silyloxyhexanal
SMILESCC(C)[Si](O[C@H](CCO[Si](C)(C)C(C)(C)C)[C@@H](C)CC=O)(C(C)C)C(C)C
InChIInChI=1S/C22H48O3Si2/c1-17(2)27(18(3)4,19(5)6)25-21(20(7)13-15-23)14-16-24-26(11,12)22(8,9)10/h15,17-21H,13-14,16H2,1-12H3/t20-,21+/m0/s1
InChIKeyZLFUVOGLRRIPRM-LEWJYISDSA-N
XLogP7.18
TPSA35.53 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds12
Heavy Atoms27
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500416.80
LogP ≤ 57.18
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,4R)-6-[tert-butyl(dimethyl)silyl]oxy-3-methyl-4-tri(propan-2-yl)silyloxyhexanal 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,4R)-6-[tert-butyl(dimethyl)silyl]oxy-3-methyl-4-tri(propan-2-yl)silyloxyhexanal?
The IUPAC name of (3S,4R)-6-[tert-butyl(dimethyl)silyl]oxy-3-methyl-4-tri(propan-2-yl)silyloxyhexanal (CID 57379990) is (3S,4R)-6-[tert-butyl(dimethyl)silyl]oxy-3-methyl-4-tri(propan-2-yl)silyloxyhexanal.
What is the SMILES notation for (3S,4R)-6-[tert-butyl(dimethyl)silyl]oxy-3-methyl-4-tri(propan-2-yl)silyloxyhexanal?
The canonical SMILES for (3S,4R)-6-[tert-butyl(dimethyl)silyl]oxy-3-methyl-4-tri(propan-2-yl)silyloxyhexanal is CC(C)[Si](O[C@H](CCO[Si](C)(C)C(C)(C)C)[C@@H](C)CC=O)(C(C)C)C(C)C.
What is the InChIKey of (3S,4R)-6-[tert-butyl(dimethyl)silyl]oxy-3-methyl-4-tri(propan-2-yl)silyloxyhexanal?
The InChIKey is ZLFUVOGLRRIPRM-LEWJYISDSA-N. The full InChI is InChI=1S/C22H48O3Si2/c1-17(2)27(18(3)4,19(5)6)25-21(20(7)13-15-23)14-16-24-26(11,12)22(8,9)10/h15,17-21H,13-14,16H2,1-12H3/t20-,21+/m0/s1.
What are the key properties of (3S,4R)-6-[tert-butyl(dimethyl)silyl]oxy-3-methyl-4-tri(propan-2-yl)silyloxyhexanal?
(3S,4R)-6-[tert-butyl(dimethyl)silyl]oxy-3-methyl-4-tri(propan-2-yl)silyloxyhexanal has a molecular weight of 416.80 g/mol, XLogP of 7.18, 12 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (3S,4R)-6-[tert-butyl(dimethyl)silyl]oxy-3-methyl-4-tri(propan-2-yl)silyloxyhexanal is sourced from PubChem (CID 57379990), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).