(2R,3S,4S)-5-[tert-butyl(dimethyl)silyl]oxy-2,4-dimethyl-3-tri(propan-2-yl)silyloxypentanal

C22H48O3Si2 — CID 59891842

IUPAC(2R,3S,4S)-5-[tert-butyl(dimethyl)silyl]oxy-2,4-dimethyl-3-tri(propan-2-yl)silyloxypentanal
SMILESCC(C=O)[C@@H](O[Si](C(C)C)(C(C)C)C(C)C)[C@@H](C)CO[Si](C)(C)C(C)(C)C
InChIInChI=1S/C22H48O3Si2/c1-16(2)27(17(3)4,18(5)6)25-21(19(7)14-23)20(8)15-24-26(12,13)22(9,10)11/h14,16-21H,15H2,1-13H3/t19?,20-,21+/m0/s1
InChIKeyMXJLKSAGKVYOOQ-GJGLBJJNSA-N
MW416.80 g/mol
LogP7.04
Rot. Bonds11

About (2R,3S,4S)-5-[tert-butyl(dimethyl)silyl]oxy-2,4-dimethyl-3-tri(propan-2-yl)silyloxypentanal

(2R,3S,4S)-5-[tert-butyl(dimethyl)silyl]oxy-2,4-dimethyl-3-tri(propan-2-yl)silyloxypentanal (PubChem CID 59891842) has the molecular formula C22H48O3Si2 and a molecular weight of 416.80 g/mol. Its IUPAC name is (2R,3S,4S)-5-[tert-butyl(dimethyl)silyl]oxy-2,4-dimethyl-3-tri(propan-2-yl)silyloxypentanal.

Molecular Properties

Compound Name(2R,3S,4S)-5-[tert-butyl(dimethyl)silyl]oxy-2,4-dimethyl-3-tri(propan-2-yl)silyloxypentanal
PubChem CID59891842
Molecular FormulaC22H48O3Si2
Molecular Weight416.80 g/mol
Exact Mass416.31
IUPAC Name(2R,3S,4S)-5-[tert-butyl(dimethyl)silyl]oxy-2,4-dimethyl-3-tri(propan-2-yl)silyloxypentanal
SMILESCC(C=O)[C@@H](O[Si](C(C)C)(C(C)C)C(C)C)[C@@H](C)CO[Si](C)(C)C(C)(C)C
InChIInChI=1S/C22H48O3Si2/c1-16(2)27(17(3)4,18(5)6)25-21(19(7)14-23)20(8)15-24-26(12,13)22(9,10)11/h14,16-21H,15H2,1-13H3/t19?,20-,21+/m0/s1
InChIKeyMXJLKSAGKVYOOQ-GJGLBJJNSA-N
XLogP7.04
TPSA35.53 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds11
Heavy Atoms27
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500416.80
LogP ≤ 57.04
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'}

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Related Compounds

(3S)-3,5-bis[[tert-butyl(dimethyl)silyl]oxy]-2,2-dimethylpentanal
CID 10861695
Ctk3G4223
CID 9543585
(2S)-2-[(4R,5S)-2,2-ditert-butyl-5-methyl-1,3,2-dioxasilinan-4-yl]propanal
CID 10913151
(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
(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
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
(2S,3S,4R)-3,4-bis[[tert-butyl(dimethyl)silyl]oxy]-2-methylpentanal
CID 101425651
(3S,4S)-5-[tert-butyl(dimethyl)silyl]oxy-3-methoxy-4-methylpentanal
CID 134963669
(2S,3R)-5-hydroxy-2-methyl-3-tri(propan-2-yl)silyloxypentanal
CID 134969090

Frequently Asked Questions

What is the IUPAC name of (2R,3S,4S)-5-[tert-butyl(dimethyl)silyl]oxy-2,4-dimethyl-3-tri(propan-2-yl)silyloxypentanal?
The IUPAC name of (2R,3S,4S)-5-[tert-butyl(dimethyl)silyl]oxy-2,4-dimethyl-3-tri(propan-2-yl)silyloxypentanal (CID 59891842) is (2R,3S,4S)-5-[tert-butyl(dimethyl)silyl]oxy-2,4-dimethyl-3-tri(propan-2-yl)silyloxypentanal.
What is the SMILES notation for (2R,3S,4S)-5-[tert-butyl(dimethyl)silyl]oxy-2,4-dimethyl-3-tri(propan-2-yl)silyloxypentanal?
The canonical SMILES for (2R,3S,4S)-5-[tert-butyl(dimethyl)silyl]oxy-2,4-dimethyl-3-tri(propan-2-yl)silyloxypentanal is CC(C=O)[C@@H](O[Si](C(C)C)(C(C)C)C(C)C)[C@@H](C)CO[Si](C)(C)C(C)(C)C.
What is the InChIKey of (2R,3S,4S)-5-[tert-butyl(dimethyl)silyl]oxy-2,4-dimethyl-3-tri(propan-2-yl)silyloxypentanal?
The InChIKey is MXJLKSAGKVYOOQ-GJGLBJJNSA-N. The full InChI is InChI=1S/C22H48O3Si2/c1-16(2)27(17(3)4,18(5)6)25-21(19(7)14-23)20(8)15-24-26(12,13)22(9,10)11/h14,16-21H,15H2,1-13H3/t19?,20-,21+/m0/s1.
What are the key properties of (2R,3S,4S)-5-[tert-butyl(dimethyl)silyl]oxy-2,4-dimethyl-3-tri(propan-2-yl)silyloxypentanal?
(2R,3S,4S)-5-[tert-butyl(dimethyl)silyl]oxy-2,4-dimethyl-3-tri(propan-2-yl)silyloxypentanal has a molecular weight of 416.80 g/mol, XLogP of 7.04, 11 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2R,3S,4S)-5-[tert-butyl(dimethyl)silyl]oxy-2,4-dimethyl-3-tri(propan-2-yl)silyloxypentanal is sourced from PubChem (CID 59891842), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).