(2S,3S)-3,5-bis[[tert-butyl(dimethyl)silyl]oxy]-2-methylpentanal

C18H40O3Si2 — CID 11111192

IUPAC(2S,3S)-3,5-bis[[tert-butyl(dimethyl)silyl]oxy]-2-methylpentanal
SMILESCC(C=O)[C@H](CCO[Si](C)(C)C(C)(C)C)O[Si](C)(C)C(C)(C)C
InChIInChI=1S/C18H40O3Si2/c1-15(14-19)16(21-23(10,11)18(5,6)7)12-13-20-22(8,9)17(2,3)4/h14-16H,12-13H2,1-11H3/t15?,16-/m0/s1
InChIKeyRMZANSBCWHUNNU-LYKKTTPLSA-N
MW360.69 g/mol
LogP5.62
Rot. Bonds8

About (2S,3S)-3,5-bis[[tert-butyl(dimethyl)silyl]oxy]-2-methylpentanal

(2S,3S)-3,5-bis[[tert-butyl(dimethyl)silyl]oxy]-2-methylpentanal (PubChem CID 11111192) has the molecular formula C18H40O3Si2 and a molecular weight of 360.69 g/mol. Its IUPAC name is (2S,3S)-3,5-bis[[tert-butyl(dimethyl)silyl]oxy]-2-methylpentanal.

Molecular Properties

Compound Name(2S,3S)-3,5-bis[[tert-butyl(dimethyl)silyl]oxy]-2-methylpentanal
PubChem CID11111192
Molecular FormulaC18H40O3Si2
Molecular Weight360.69 g/mol
Exact Mass360.25
IUPAC Name(2S,3S)-3,5-bis[[tert-butyl(dimethyl)silyl]oxy]-2-methylpentanal
SMILESCC(C=O)[C@H](CCO[Si](C)(C)C(C)(C)C)O[Si](C)(C)C(C)(C)C
InChIInChI=1S/C18H40O3Si2/c1-15(14-19)16(21-23(10,11)18(5,6)7)12-13-20-22(8,9)17(2,3)4/h14-16H,12-13H2,1-11H3/t15?,16-/m0/s1
InChIKeyRMZANSBCWHUNNU-LYKKTTPLSA-N
XLogP5.62
TPSA35.53 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms23
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500360.69
LogP ≤ 55.62
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
(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
(2R,4S)-2,4-dimethyl-3-tri(propan-2-yl)silyloxypentanedial
CID 135077678

Frequently Asked Questions

What is the IUPAC name of (2S,3S)-3,5-bis[[tert-butyl(dimethyl)silyl]oxy]-2-methylpentanal?
The IUPAC name of (2S,3S)-3,5-bis[[tert-butyl(dimethyl)silyl]oxy]-2-methylpentanal (CID 11111192) is (2S,3S)-3,5-bis[[tert-butyl(dimethyl)silyl]oxy]-2-methylpentanal.
What is the SMILES notation for (2S,3S)-3,5-bis[[tert-butyl(dimethyl)silyl]oxy]-2-methylpentanal?
The canonical SMILES for (2S,3S)-3,5-bis[[tert-butyl(dimethyl)silyl]oxy]-2-methylpentanal is CC(C=O)[C@H](CCO[Si](C)(C)C(C)(C)C)O[Si](C)(C)C(C)(C)C.
What is the InChIKey of (2S,3S)-3,5-bis[[tert-butyl(dimethyl)silyl]oxy]-2-methylpentanal?
The InChIKey is RMZANSBCWHUNNU-LYKKTTPLSA-N. The full InChI is InChI=1S/C18H40O3Si2/c1-15(14-19)16(21-23(10,11)18(5,6)7)12-13-20-22(8,9)17(2,3)4/h14-16H,12-13H2,1-11H3/t15?,16-/m0/s1.
What are the key properties of (2S,3S)-3,5-bis[[tert-butyl(dimethyl)silyl]oxy]-2-methylpentanal?
(2S,3S)-3,5-bis[[tert-butyl(dimethyl)silyl]oxy]-2-methylpentanal has a molecular weight of 360.69 g/mol, XLogP of 5.62, 8 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2S,3S)-3,5-bis[[tert-butyl(dimethyl)silyl]oxy]-2-methylpentanal is sourced from PubChem (CID 11111192), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).