(3R,4S)-4,6-bis[[tert-butyl(dimethyl)silyl]oxy]-3-methylhexanal

C19H42O3Si2 — CID 11417487

IUPAC(3R,4S)-4,6-bis[[tert-butyl(dimethyl)silyl]oxy]-3-methylhexanal
SMILESC[C@H](CC=O)[C@H](CCO[Si](C)(C)C(C)(C)C)O[Si](C)(C)C(C)(C)C
InChIInChI=1S/C19H42O3Si2/c1-16(12-14-20)17(22-24(10,11)19(5,6)7)13-15-21-23(8,9)18(2,3)4/h14,16-17H,12-13,15H2,1-11H3/t16-,17+/m1/s1
InChIKeyMFPGJLBSQOSOHA-SJORKVTESA-N
MW374.71 g/mol
LogP6.01
Rot. Bonds9

About (3R,4S)-4,6-bis[[tert-butyl(dimethyl)silyl]oxy]-3-methylhexanal

(3R,4S)-4,6-bis[[tert-butyl(dimethyl)silyl]oxy]-3-methylhexanal (PubChem CID 11417487) has the molecular formula C19H42O3Si2 and a molecular weight of 374.71 g/mol. Its IUPAC name is (3R,4S)-4,6-bis[[tert-butyl(dimethyl)silyl]oxy]-3-methylhexanal.

Molecular Properties

Compound Name(3R,4S)-4,6-bis[[tert-butyl(dimethyl)silyl]oxy]-3-methylhexanal
PubChem CID11417487
Molecular FormulaC19H42O3Si2
Molecular Weight374.71 g/mol
Exact Mass374.27
IUPAC Name(3R,4S)-4,6-bis[[tert-butyl(dimethyl)silyl]oxy]-3-methylhexanal
SMILESC[C@H](CC=O)[C@H](CCO[Si](C)(C)C(C)(C)C)O[Si](C)(C)C(C)(C)C
InChIInChI=1S/C19H42O3Si2/c1-16(12-14-20)17(22-24(10,11)19(5,6)7)13-15-21-23(8,9)18(2,3)4/h14,16-17H,12-13,15H2,1-11H3/t16-,17+/m1/s1
InChIKeyMFPGJLBSQOSOHA-SJORKVTESA-N
XLogP6.01
TPSA35.53 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds9
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': 'heavy_metal', 'substructure': 'N/A'}

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Related Compounds

(4S)-6-[tert-butyl(dimethyl)silyl]oxy-4-methylhexanal
CID 10944672
(3S,4R)-3,5-dimethyl-4-tri(propan-2-yl)silyloxyhexanal
CID 10870323
(5S)-5-methyl-6-tri(propan-2-yl)silyloxyhexanal
CID 11243147
(4R)-6-[tert-butyl(dimethyl)silyl]oxy-4-methylhexanal
CID 14014588
6-[Tert-butyl(dimethyl)silyl]oxy-3-methylhexanal
CID 21579085
(4S,5S,6R)-5,7-bis[[tert-butyl(dimethyl)silyl]oxy]-4,6-dimethylheptan-2-one
CID 24886405
(2R,3S,4S,5S)-3-[tert-butyl(dimethyl)silyl]oxy-2,4-dimethyl-5-triethylsilyloxyhexanal
CID 72701907
cis-(2R,3S)-3-[tert-butyl(dimethyl)silyl]oxy-2-[[tert-butyl(dimethyl)silyl]oxymethyl]cyclopentan-1-one
CID 138963618
6-[2,3-Dimethylbutan-2-yl(dimethyl)silyl]oxy-3-methylhexanal
CID 10468489
6-[Tert-butyl(dimethyl)silyl]oxy-4-methylhexanal
CID 10955811
(2S,3R,5R)-3,5-bis(tert-Butyldimethylsilyloxy)-2-methylhexanal
CID 53329187
2-[2-[Tert-butyl(dimethyl)silyl]oxyethyl]pentanal
CID 88571352

Frequently Asked Questions

What is the IUPAC name of (3R,4S)-4,6-bis[[tert-butyl(dimethyl)silyl]oxy]-3-methylhexanal?
The IUPAC name of (3R,4S)-4,6-bis[[tert-butyl(dimethyl)silyl]oxy]-3-methylhexanal (CID 11417487) is (3R,4S)-4,6-bis[[tert-butyl(dimethyl)silyl]oxy]-3-methylhexanal.
What is the SMILES notation for (3R,4S)-4,6-bis[[tert-butyl(dimethyl)silyl]oxy]-3-methylhexanal?
The canonical SMILES for (3R,4S)-4,6-bis[[tert-butyl(dimethyl)silyl]oxy]-3-methylhexanal is C[C@H](CC=O)[C@H](CCO[Si](C)(C)C(C)(C)C)O[Si](C)(C)C(C)(C)C.
What is the InChIKey of (3R,4S)-4,6-bis[[tert-butyl(dimethyl)silyl]oxy]-3-methylhexanal?
The InChIKey is MFPGJLBSQOSOHA-SJORKVTESA-N. The full InChI is InChI=1S/C19H42O3Si2/c1-16(12-14-20)17(22-24(10,11)19(5,6)7)13-15-21-23(8,9)18(2,3)4/h14,16-17H,12-13,15H2,1-11H3/t16-,17+/m1/s1.
What are the key properties of (3R,4S)-4,6-bis[[tert-butyl(dimethyl)silyl]oxy]-3-methylhexanal?
(3R,4S)-4,6-bis[[tert-butyl(dimethyl)silyl]oxy]-3-methylhexanal has a molecular weight of 374.71 g/mol, XLogP of 6.01, 9 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (3R,4S)-4,6-bis[[tert-butyl(dimethyl)silyl]oxy]-3-methylhexanal is sourced from PubChem (CID 11417487), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).