(2R,4S,5R)-5-[tert-butyl(dimethyl)silyl]oxy-4,6-dimethoxy-2-methylhexanal

C15H32O4Si — CID 14110924

IUPAC(2R,4S,5R)-5-[tert-butyl(dimethyl)silyl]oxy-4,6-dimethoxy-2-methylhexanal
SMILESCOC[C@@H](O[Si](C)(C)C(C)(C)C)[C@H](CC(C)C=O)OC
InChIInChI=1S/C15H32O4Si/c1-12(10-16)9-13(18-6)14(11-17-5)19-20(7,8)15(2,3)4/h10,12-14H,9,11H2,1-8H3/t12?,13-,14+/m0/s1
InChIKeyPKMKLQYGDDRHHS-KFTPUPIBSA-N
MW304.50 g/mol
LogP3.26
Rot. Bonds9

About (2R,4S,5R)-5-[tert-butyl(dimethyl)silyl]oxy-4,6-dimethoxy-2-methylhexanal

(2R,4S,5R)-5-[tert-butyl(dimethyl)silyl]oxy-4,6-dimethoxy-2-methylhexanal (PubChem CID 14110924) has the molecular formula C15H32O4Si and a molecular weight of 304.50 g/mol. Its IUPAC name is (2R,4S,5R)-5-[tert-butyl(dimethyl)silyl]oxy-4,6-dimethoxy-2-methylhexanal.

Molecular Properties

Compound Name(2R,4S,5R)-5-[tert-butyl(dimethyl)silyl]oxy-4,6-dimethoxy-2-methylhexanal
PubChem CID14110924
Molecular FormulaC15H32O4Si
Molecular Weight304.50 g/mol
Exact Mass304.21
IUPAC Name(2R,4S,5R)-5-[tert-butyl(dimethyl)silyl]oxy-4,6-dimethoxy-2-methylhexanal
SMILESCOC[C@@H](O[Si](C)(C)C(C)(C)C)[C@H](CC(C)C=O)OC
InChIInChI=1S/C15H32O4Si/c1-12(10-16)9-13(18-6)14(11-17-5)19-20(7,8)15(2,3)4/h10,12-14H,9,11H2,1-8H3/t12?,13-,14+/m0/s1
InChIKeyPKMKLQYGDDRHHS-KFTPUPIBSA-N
XLogP3.26
TPSA44.76 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds9
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500304.50
LogP ≤ 53.26
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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,5R)-5-[tert-butyl(dimethyl)silyl]oxy-6-methoxy-2-methyl-3-triethylsilyloxyhexanal
CID 11750070
6-[2-[2-[2-[Tert-butyl(dimethyl)silyl]oxyethoxy]ethoxy]ethoxy]-2-methylhexanal
CID 18964708
(3S,4R,5R)-3,6-bis[[tert-butyl(dimethyl)silyl]oxy]-5-methoxy-4-methylhexanal
CID 11090770

Frequently Asked Questions

What is the IUPAC name of (2R,4S,5R)-5-[tert-butyl(dimethyl)silyl]oxy-4,6-dimethoxy-2-methylhexanal?
The IUPAC name of (2R,4S,5R)-5-[tert-butyl(dimethyl)silyl]oxy-4,6-dimethoxy-2-methylhexanal (CID 14110924) is (2R,4S,5R)-5-[tert-butyl(dimethyl)silyl]oxy-4,6-dimethoxy-2-methylhexanal.
What is the SMILES notation for (2R,4S,5R)-5-[tert-butyl(dimethyl)silyl]oxy-4,6-dimethoxy-2-methylhexanal?
The canonical SMILES for (2R,4S,5R)-5-[tert-butyl(dimethyl)silyl]oxy-4,6-dimethoxy-2-methylhexanal is COC[C@@H](O[Si](C)(C)C(C)(C)C)[C@H](CC(C)C=O)OC.
What is the InChIKey of (2R,4S,5R)-5-[tert-butyl(dimethyl)silyl]oxy-4,6-dimethoxy-2-methylhexanal?
The InChIKey is PKMKLQYGDDRHHS-KFTPUPIBSA-N. The full InChI is InChI=1S/C15H32O4Si/c1-12(10-16)9-13(18-6)14(11-17-5)19-20(7,8)15(2,3)4/h10,12-14H,9,11H2,1-8H3/t12?,13-,14+/m0/s1.
What are the key properties of (2R,4S,5R)-5-[tert-butyl(dimethyl)silyl]oxy-4,6-dimethoxy-2-methylhexanal?
(2R,4S,5R)-5-[tert-butyl(dimethyl)silyl]oxy-4,6-dimethoxy-2-methylhexanal has a molecular weight of 304.50 g/mol, XLogP of 3.26, 9 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2R,4S,5R)-5-[tert-butyl(dimethyl)silyl]oxy-4,6-dimethoxy-2-methylhexanal is sourced from PubChem (CID 14110924), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).