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

C17H36O2Si — CID 10870323

IUPAC(3S,4R)-3,5-dimethyl-4-tri(propan-2-yl)silyloxyhexanal
SMILESCC(C)[C@@H](O[Si](C(C)C)(C(C)C)C(C)C)[C@@H](C)CC=O
InChIInChI=1S/C17H36O2Si/c1-12(2)17(16(9)10-11-18)19-20(13(3)4,14(5)6)15(7)8/h11-17H,10H2,1-9H3/t16-,17+/m0/s1
InChIKeySZIKYHUGXBGJKK-DLBZAZTESA-N
MW300.56 g/mol
LogP5.43
Rot. Bonds9

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

(3S,4R)-3,5-dimethyl-4-tri(propan-2-yl)silyloxyhexanal (PubChem CID 10870323) has the molecular formula C17H36O2Si and a molecular weight of 300.56 g/mol. Its IUPAC name is (3S,4R)-3,5-dimethyl-4-tri(propan-2-yl)silyloxyhexanal.

Molecular Properties

Compound Name(3S,4R)-3,5-dimethyl-4-tri(propan-2-yl)silyloxyhexanal
PubChem CID10870323
Molecular FormulaC17H36O2Si
Molecular Weight300.56 g/mol
Exact Mass300.25
IUPAC Name(3S,4R)-3,5-dimethyl-4-tri(propan-2-yl)silyloxyhexanal
SMILESCC(C)[C@@H](O[Si](C(C)C)(C(C)C)C(C)C)[C@@H](C)CC=O
InChIInChI=1S/C17H36O2Si/c1-12(2)17(16(9)10-11-18)19-20(13(3)4,14(5)6)15(7)8/h11-17H,10H2,1-9H3/t16-,17+/m0/s1
InChIKeySZIKYHUGXBGJKK-DLBZAZTESA-N
XLogP5.43
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds9
Heavy Atoms20
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500300.56
LogP ≤ 55.43
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aldehyde', '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,3R,4S)-3-[tert-butyl(dimethyl)silyl]oxy-2,4-dimethylhexanal
CID 11821284
(3R,4S)-4-[tert-butyl(dimethyl)silyl]oxy-3-methylpentanal
CID 58991004
(2S,3S,4S)-3-[tert-butyl(dimethyl)silyl]oxy-2,4-dimethyl-7-trimethylsilylhept-6-ynal
CID 11067797
(2R,4S)-4-[tert-butyl(dimethyl)silyl]oxy-2-methylpentanal
CID 11138971
(5S)-5-methyl-6-tri(propan-2-yl)silyloxyhexanal
CID 11243147
(2R,4R)-2-methyl-4-triethylsilyloxypentanal
CID 11379230
(3R)-3-methyl-3-tri(propan-2-yl)silyloxyhexanal
CID 11500201
3-[Diethyl(3-trimethylsilylprop-1-ynyl)silyl]oxy-5-methylhexanal
CID 24805370
(3S,4S)-4-[tert-butyl(dimethyl)silyl]oxy-3-methylpentanal
CID 45102973
(2S,3S,4R)-3,4-bis[[tert-butyl(dimethyl)silyl]oxy]-2-methylpentanal
CID 101425651
(2R,3S)-3-[tert-butyl(dimethyl)silyl]oxy-2,5-dimethylhexanal
CID 132501470

Frequently Asked Questions

What is the IUPAC name of (3S,4R)-3,5-dimethyl-4-tri(propan-2-yl)silyloxyhexanal?
The IUPAC name of (3S,4R)-3,5-dimethyl-4-tri(propan-2-yl)silyloxyhexanal (CID 10870323) is (3S,4R)-3,5-dimethyl-4-tri(propan-2-yl)silyloxyhexanal.
What is the SMILES notation for (3S,4R)-3,5-dimethyl-4-tri(propan-2-yl)silyloxyhexanal?
The canonical SMILES for (3S,4R)-3,5-dimethyl-4-tri(propan-2-yl)silyloxyhexanal is CC(C)[C@@H](O[Si](C(C)C)(C(C)C)C(C)C)[C@@H](C)CC=O.
What is the InChIKey of (3S,4R)-3,5-dimethyl-4-tri(propan-2-yl)silyloxyhexanal?
The InChIKey is SZIKYHUGXBGJKK-DLBZAZTESA-N. The full InChI is InChI=1S/C17H36O2Si/c1-12(2)17(16(9)10-11-18)19-20(13(3)4,14(5)6)15(7)8/h11-17H,10H2,1-9H3/t16-,17+/m0/s1.
What are the key properties of (3S,4R)-3,5-dimethyl-4-tri(propan-2-yl)silyloxyhexanal?
(3S,4R)-3,5-dimethyl-4-tri(propan-2-yl)silyloxyhexanal has a molecular weight of 300.56 g/mol, XLogP of 5.43, 9 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (3S,4R)-3,5-dimethyl-4-tri(propan-2-yl)silyloxyhexanal is sourced from PubChem (CID 10870323), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).