(2R,3S)-2-methyl-3-trimethylsilyloxy-6-tri(propan-2-yl)silyloxyhexanal

C19H42O3Si2 — CID 46704205

IUPAC(2R,3S)-2-methyl-3-trimethylsilyloxy-6-tri(propan-2-yl)silyloxyhexanal
SMILESCC(C=O)[C@H](CCCO[Si](C(C)C)(C(C)C)C(C)C)O[Si](C)(C)C
InChIInChI=1S/C19H42O3Si2/c1-15(2)24(16(3)4,17(5)6)21-13-11-12-19(18(7)14-20)22-23(8,9)10/h14-19H,11-13H2,1-10H3/t18?,19-/m0/s1
InChIKeyXPKMLULSPSQFNU-GGYWPGCISA-N
MW374.71 g/mol
LogP6.01
Rot. Bonds12

About (2R,3S)-2-methyl-3-trimethylsilyloxy-6-tri(propan-2-yl)silyloxyhexanal

(2R,3S)-2-methyl-3-trimethylsilyloxy-6-tri(propan-2-yl)silyloxyhexanal (PubChem CID 46704205) has the molecular formula C19H42O3Si2 and a molecular weight of 374.71 g/mol. Its IUPAC name is (2R,3S)-2-methyl-3-trimethylsilyloxy-6-tri(propan-2-yl)silyloxyhexanal.

Molecular Properties

Compound Name(2R,3S)-2-methyl-3-trimethylsilyloxy-6-tri(propan-2-yl)silyloxyhexanal
PubChem CID46704205
Molecular FormulaC19H42O3Si2
Molecular Weight374.71 g/mol
Exact Mass374.27
IUPAC Name(2R,3S)-2-methyl-3-trimethylsilyloxy-6-tri(propan-2-yl)silyloxyhexanal
SMILESCC(C=O)[C@H](CCCO[Si](C(C)C)(C(C)C)C(C)C)O[Si](C)(C)C
InChIInChI=1S/C19H42O3Si2/c1-15(2)24(16(3)4,17(5)6)21-13-11-12-19(18(7)14-20)22-23(8,9)10/h14-19H,11-13H2,1-10H3/t18?,19-/m0/s1
InChIKeyXPKMLULSPSQFNU-GGYWPGCISA-N
XLogP6.01
TPSA35.53 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds12
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': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'heavy_metal', 'substructure': 'N/A'}

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Related Compounds

(2S,3S)-3-(t-Butyldimethylsilyloxy)-2-methylhexanal
CID 10879364
(2S,3S,4R)-3,5-bis((tert-butyldimethylsilyl)oxy)-2,4-dimethylpentanal
CID 11003293
(2S,3S)-3,5-bis[[tert-butyl(dimethyl)silyl]oxy]-2-methylpentanal
CID 11111192
(5S)-5-methyl-6-tri(propan-2-yl)silyloxyhexanal
CID 11243147
(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
(2R,3S)-3-[tert-butyl(dimethyl)silyl]oxy-2,5-dimethylhexanal
CID 132501470
(3R)-3-[tert-butyl(dimethyl)silyl]oxy-5-methylhexanal
CID 134895909
(2S,3S)-2-butyl-3-[tert-butyl(dimethyl)silyl]oxyheptanal
CID 139263534

Frequently Asked Questions

What is the IUPAC name of (2R,3S)-2-methyl-3-trimethylsilyloxy-6-tri(propan-2-yl)silyloxyhexanal?
The IUPAC name of (2R,3S)-2-methyl-3-trimethylsilyloxy-6-tri(propan-2-yl)silyloxyhexanal (CID 46704205) is (2R,3S)-2-methyl-3-trimethylsilyloxy-6-tri(propan-2-yl)silyloxyhexanal.
What is the SMILES notation for (2R,3S)-2-methyl-3-trimethylsilyloxy-6-tri(propan-2-yl)silyloxyhexanal?
The canonical SMILES for (2R,3S)-2-methyl-3-trimethylsilyloxy-6-tri(propan-2-yl)silyloxyhexanal is CC(C=O)[C@H](CCCO[Si](C(C)C)(C(C)C)C(C)C)O[Si](C)(C)C.
What is the InChIKey of (2R,3S)-2-methyl-3-trimethylsilyloxy-6-tri(propan-2-yl)silyloxyhexanal?
The InChIKey is XPKMLULSPSQFNU-GGYWPGCISA-N. The full InChI is InChI=1S/C19H42O3Si2/c1-15(2)24(16(3)4,17(5)6)21-13-11-12-19(18(7)14-20)22-23(8,9)10/h14-19H,11-13H2,1-10H3/t18?,19-/m0/s1.
What are the key properties of (2R,3S)-2-methyl-3-trimethylsilyloxy-6-tri(propan-2-yl)silyloxyhexanal?
(2R,3S)-2-methyl-3-trimethylsilyloxy-6-tri(propan-2-yl)silyloxyhexanal has a molecular weight of 374.71 g/mol, XLogP of 6.01, 12 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2R,3S)-2-methyl-3-trimethylsilyloxy-6-tri(propan-2-yl)silyloxyhexanal is sourced from PubChem (CID 46704205), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).