(2R,3S,4S,5S)-2,4-dimethyl-3-triethylsilyloxy-5-tri(propan-2-yl)silyloxyhexanal

C23H50O3Si2 — CID 11304990

IUPAC(2R,3S,4S,5S)-2,4-dimethyl-3-triethylsilyloxy-5-tri(propan-2-yl)silyloxyhexanal
SMILESCC[Si](CC)(CC)O[C@@H]([C@@H](C)[C@H](C)O[Si](C(C)C)(C(C)C)C(C)C)[C@@H](C)C=O
InChIInChI=1S/C23H50O3Si2/c1-13-27(14-2,15-3)26-23(20(10)16-24)21(11)22(12)25-28(17(4)5,18(6)7)19(8)9/h16-23H,13-15H2,1-12H3/t20-,21-,22-,23+/m0/s1
InChIKeyQHJCJTZAXDJWFI-CWBXHPNXSA-N
MW430.82 g/mol
LogP7.43
Rot. Bonds14

About (2R,3S,4S,5S)-2,4-dimethyl-3-triethylsilyloxy-5-tri(propan-2-yl)silyloxyhexanal

(2R,3S,4S,5S)-2,4-dimethyl-3-triethylsilyloxy-5-tri(propan-2-yl)silyloxyhexanal (PubChem CID 11304990) has the molecular formula C23H50O3Si2 and a molecular weight of 430.82 g/mol. Its IUPAC name is (2R,3S,4S,5S)-2,4-dimethyl-3-triethylsilyloxy-5-tri(propan-2-yl)silyloxyhexanal.

Molecular Properties

Compound Name(2R,3S,4S,5S)-2,4-dimethyl-3-triethylsilyloxy-5-tri(propan-2-yl)silyloxyhexanal
PubChem CID11304990
Molecular FormulaC23H50O3Si2
Molecular Weight430.82 g/mol
Exact Mass430.33
IUPAC Name(2R,3S,4S,5S)-2,4-dimethyl-3-triethylsilyloxy-5-tri(propan-2-yl)silyloxyhexanal
SMILESCC[Si](CC)(CC)O[C@@H]([C@@H](C)[C@H](C)O[Si](C(C)C)(C(C)C)C(C)C)[C@@H](C)C=O
InChIInChI=1S/C23H50O3Si2/c1-13-27(14-2,15-3)26-23(20(10)16-24)21(11)22(12)25-28(17(4)5,18(6)7)19(8)9/h16-23H,13-15H2,1-12H3/t20-,21-,22-,23+/m0/s1
InChIKeyQHJCJTZAXDJWFI-CWBXHPNXSA-N
XLogP7.43
TPSA35.53 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds14
Heavy Atoms28
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500430.82
LogP ≤ 57.43
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 (2R,3S,4S,5S)-2,4-dimethyl-3-triethylsilyloxy-5-tri(propan-2-yl)silyloxyhexanal with MolForge

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Related Compounds

(3S)-3,5-bis[[tert-butyl(dimethyl)silyl]oxy]-2,2-dimethylpentanal
CID 10861695
(2S,3R,4S)-3-[tert-butyl(dimethyl)silyl]oxy-2,4-dimethylhexanal
CID 11821284
(2S,3S,4R)-3,5-bis((tert-butyldimethylsilyl)oxy)-2,4-dimethylpentanal
CID 11003293
(2S,3S,4S)-3-[tert-butyl(dimethyl)silyl]oxy-2,4-dimethyl-7-trimethylsilylhept-6-ynal
CID 11067797
(2S,3S)-3,5-bis[[tert-butyl(dimethyl)silyl]oxy]-2-methylpentanal
CID 11111192
(2R,3S,4S)-3,5-bis[[tert-butyl(dimethyl)silyl]oxy]-2,4-dimethylpentanal
CID 11245787
(2R,3R)-5-[tert-butyl(dimethyl)silyl]oxy-2-methyl-3-triethylsilyloxypentanal
CID 11717470
(2S,3R,5R)-5-[tert-butyl(dimethyl)silyl]oxy-6-methoxy-2-methyl-3-triethylsilyloxyhexanal
CID 11750070
3-[Diethyl(3-trimethylsilylprop-1-ynyl)silyl]oxy-5-methylhexanal
CID 24805370
(2R,3S,4S,5S)-3-[tert-butyl(dimethyl)silyl]oxy-2,4-dimethyl-5-triethylsilyloxyhexanal
CID 72701907
(3S,5R)-5-[tert-butyl(dimethyl)silyl]oxy-3-methylhexanal
CID 134872580
(2S,3S,4S,5R)-2,4-dimethyl-3-trimethylsilyloxy-5-tri(propan-2-yl)silyloxyoctanal
CID 134930905

Frequently Asked Questions

What is the IUPAC name of (2R,3S,4S,5S)-2,4-dimethyl-3-triethylsilyloxy-5-tri(propan-2-yl)silyloxyhexanal?
The IUPAC name of (2R,3S,4S,5S)-2,4-dimethyl-3-triethylsilyloxy-5-tri(propan-2-yl)silyloxyhexanal (CID 11304990) is (2R,3S,4S,5S)-2,4-dimethyl-3-triethylsilyloxy-5-tri(propan-2-yl)silyloxyhexanal.
What is the SMILES notation for (2R,3S,4S,5S)-2,4-dimethyl-3-triethylsilyloxy-5-tri(propan-2-yl)silyloxyhexanal?
The canonical SMILES for (2R,3S,4S,5S)-2,4-dimethyl-3-triethylsilyloxy-5-tri(propan-2-yl)silyloxyhexanal is CC[Si](CC)(CC)O[C@@H]([C@@H](C)[C@H](C)O[Si](C(C)C)(C(C)C)C(C)C)[C@@H](C)C=O.
What is the InChIKey of (2R,3S,4S,5S)-2,4-dimethyl-3-triethylsilyloxy-5-tri(propan-2-yl)silyloxyhexanal?
The InChIKey is QHJCJTZAXDJWFI-CWBXHPNXSA-N. The full InChI is InChI=1S/C23H50O3Si2/c1-13-27(14-2,15-3)26-23(20(10)16-24)21(11)22(12)25-28(17(4)5,18(6)7)19(8)9/h16-23H,13-15H2,1-12H3/t20-,21-,22-,23+/m0/s1.
What are the key properties of (2R,3S,4S,5S)-2,4-dimethyl-3-triethylsilyloxy-5-tri(propan-2-yl)silyloxyhexanal?
(2R,3S,4S,5S)-2,4-dimethyl-3-triethylsilyloxy-5-tri(propan-2-yl)silyloxyhexanal has a molecular weight of 430.82 g/mol, XLogP of 7.43, 14 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2R,3S,4S,5S)-2,4-dimethyl-3-triethylsilyloxy-5-tri(propan-2-yl)silyloxyhexanal is sourced from PubChem (CID 11304990), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).