(2R,3S,4S)-3-[tert-butyl(dimethyl)silyl]oxy-2,4-dimethyl-5-oxoheptanal

C15H30O3Si — CID 11437650

IUPAC(2R,3S,4S)-3-[tert-butyl(dimethyl)silyl]oxy-2,4-dimethyl-5-oxoheptanal
SMILESCCC(=O)[C@@H](C)[C@@H](O[Si](C)(C)C(C)(C)C)[C@@H](C)C=O
InChIInChI=1S/C15H30O3Si/c1-9-13(17)12(3)14(11(2)10-16)18-19(7,8)15(4,5)6/h10-12,14H,9H2,1-8H3/t11-,12+,14-/m0/s1
InChIKeyWUCDDGMGJXKYFD-SCRDCRAPSA-N
MW286.49 g/mol
LogP3.83
Rot. Bonds7

About (2R,3S,4S)-3-[tert-butyl(dimethyl)silyl]oxy-2,4-dimethyl-5-oxoheptanal

(2R,3S,4S)-3-[tert-butyl(dimethyl)silyl]oxy-2,4-dimethyl-5-oxoheptanal (PubChem CID 11437650) has the molecular formula C15H30O3Si and a molecular weight of 286.49 g/mol. Its IUPAC name is (2R,3S,4S)-3-[tert-butyl(dimethyl)silyl]oxy-2,4-dimethyl-5-oxoheptanal.

Molecular Properties

Compound Name(2R,3S,4S)-3-[tert-butyl(dimethyl)silyl]oxy-2,4-dimethyl-5-oxoheptanal
PubChem CID11437650
Molecular FormulaC15H30O3Si
Molecular Weight286.49 g/mol
Exact Mass286.20
IUPAC Name(2R,3S,4S)-3-[tert-butyl(dimethyl)silyl]oxy-2,4-dimethyl-5-oxoheptanal
SMILESCCC(=O)[C@@H](C)[C@@H](O[Si](C)(C)C(C)(C)C)[C@@H](C)C=O
InChIInChI=1S/C15H30O3Si/c1-9-13(17)12(3)14(11(2)10-16)18-19(7,8)15(4,5)6/h10-12,14H,9H2,1-8H3/t11-,12+,14-/m0/s1
InChIKeyWUCDDGMGJXKYFD-SCRDCRAPSA-N
XLogP3.83
TPSA43.37 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500286.49
LogP ≤ 53.83
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

(2S,3R,4S)-3-[tert-butyl(dimethyl)silyl]oxy-2,4-dimethylhexanal
CID 11821284
7-{[tert-Butyl(dimethyl)silyl]oxy}-6,6-dimethyl-5-oxoheptanal
CID 59012143
(4S,5R)-5-[tert-butyl(dimethyl)silyl]oxy-4-methylheptan-3-one
CID 11219118
Ctk2A4066
CID 11403317
(4R,5S,6S)-4,6-dimethyl-5-trimethylsilyloxyoctan-3-one
CID 11715729
(4S,5R)-5-[tert-butyl(dimethyl)silyl]oxy-4,6-dimethylheptan-3-one
CID 11821760
(4R,5R)-5-[tert-butyl(dimethyl)silyl]oxy-4,6-dimethylheptan-3-one
CID 13891738
(2R,3S)-3-[tert-butyl(dimethyl)silyl]oxy-2-methyloctanal
CID 56591109
(4S,6S)-5-[tert-butyl(dimethyl)silyl]oxy-4,6-dimethylnonane-3,7-dione
CID 134838174
(2S,3S)-2-butyl-3-[tert-butyl(dimethyl)silyl]oxyheptanal
CID 139263534
(3R, 4S)-4-methyl-3-((triethylsilyl)oxy)octanal
CID 145865206
(3S, 4S)-4-methyl-3-((triethylsilyl)oxy)octanal
CID 145865216

Frequently Asked Questions

What is the IUPAC name of (2R,3S,4S)-3-[tert-butyl(dimethyl)silyl]oxy-2,4-dimethyl-5-oxoheptanal?
The IUPAC name of (2R,3S,4S)-3-[tert-butyl(dimethyl)silyl]oxy-2,4-dimethyl-5-oxoheptanal (CID 11437650) is (2R,3S,4S)-3-[tert-butyl(dimethyl)silyl]oxy-2,4-dimethyl-5-oxoheptanal.
What is the SMILES notation for (2R,3S,4S)-3-[tert-butyl(dimethyl)silyl]oxy-2,4-dimethyl-5-oxoheptanal?
The canonical SMILES for (2R,3S,4S)-3-[tert-butyl(dimethyl)silyl]oxy-2,4-dimethyl-5-oxoheptanal is CCC(=O)[C@@H](C)[C@@H](O[Si](C)(C)C(C)(C)C)[C@@H](C)C=O.
What is the InChIKey of (2R,3S,4S)-3-[tert-butyl(dimethyl)silyl]oxy-2,4-dimethyl-5-oxoheptanal?
The InChIKey is WUCDDGMGJXKYFD-SCRDCRAPSA-N. The full InChI is InChI=1S/C15H30O3Si/c1-9-13(17)12(3)14(11(2)10-16)18-19(7,8)15(4,5)6/h10-12,14H,9H2,1-8H3/t11-,12+,14-/m0/s1.
What are the key properties of (2R,3S,4S)-3-[tert-butyl(dimethyl)silyl]oxy-2,4-dimethyl-5-oxoheptanal?
(2R,3S,4S)-3-[tert-butyl(dimethyl)silyl]oxy-2,4-dimethyl-5-oxoheptanal has a molecular weight of 286.49 g/mol, XLogP of 3.83, 7 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2R,3S,4S)-3-[tert-butyl(dimethyl)silyl]oxy-2,4-dimethyl-5-oxoheptanal is sourced from PubChem (CID 11437650), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).