(2S,3R,4S)-5-[(4-methoxyphenyl)methoxy]-2,4-dimethyl-3-triethylsilyloxypentanal

C21H36O4Si — CID 11176467

IUPAC(2S,3R,4S)-5-[(4-methoxyphenyl)methoxy]-2,4-dimethyl-3-triethylsilyloxypentanal
SMILESCC[Si](CC)(CC)O[C@@H](C(C)C=O)[C@@H](C)COCc1ccc(OC)cc1
InChIInChI=1S/C21H36O4Si/c1-7-26(8-2,9-3)25-21(17(4)14-22)18(5)15-24-16-19-10-12-20(23-6)13-11-19/h10-14,17-18,21H,7-9,15-16H2,1-6H3/t17?,18-,21-/m0/s1
InChIKeyUXTAQRKQZDKTMB-VLQCZPCNSA-N
MW380.60 g/mol
LogP5.07
Rot. Bonds13

About (2S,3R,4S)-5-[(4-methoxyphenyl)methoxy]-2,4-dimethyl-3-triethylsilyloxypentanal

(2S,3R,4S)-5-[(4-methoxyphenyl)methoxy]-2,4-dimethyl-3-triethylsilyloxypentanal (PubChem CID 11176467) has the molecular formula C21H36O4Si and a molecular weight of 380.60 g/mol. Its IUPAC name is (2S,3R,4S)-5-[(4-methoxyphenyl)methoxy]-2,4-dimethyl-3-triethylsilyloxypentanal.

Molecular Properties

Compound Name(2S,3R,4S)-5-[(4-methoxyphenyl)methoxy]-2,4-dimethyl-3-triethylsilyloxypentanal
PubChem CID11176467
Molecular FormulaC21H36O4Si
Molecular Weight380.60 g/mol
Exact Mass380.24
IUPAC Name(2S,3R,4S)-5-[(4-methoxyphenyl)methoxy]-2,4-dimethyl-3-triethylsilyloxypentanal
SMILESCC[Si](CC)(CC)O[C@@H](C(C)C=O)[C@@H](C)COCc1ccc(OC)cc1
InChIInChI=1S/C21H36O4Si/c1-7-26(8-2,9-3)25-21(17(4)14-22)18(5)15-24-16-19-10-12-20(23-6)13-11-19/h10-14,17-18,21H,7-9,15-16H2,1-6H3/t17?,18-,21-/m0/s1
InChIKeyUXTAQRKQZDKTMB-VLQCZPCNSA-N
XLogP5.07
TPSA44.76 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds13
Heavy Atoms26
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500380.60
LogP ≤ 55.07
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'}

Analyze (2S,3R,4S)-5-[(4-methoxyphenyl)methoxy]-2,4-dimethyl-3-triethylsilyloxypentanal with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

(2R,3S,4R)-3-[tert-butyl(dimethyl)silyl]oxy-5-[(4-methoxyphenyl)methoxy]-2,4-dimethylpentanal
CID 177467980
3-[tert-butyl(dimethyl)silyl]oxy-5-[(4-methoxyphenyl)methoxy]-2,4-dimethylpentanal
CID 58762106
(2R,3R,4R)-3-hydroxy-5-[(4-methoxyphenyl)methoxy]-2,4-dimethylpentanal
CID 10491992
methyl (E,4S,5R,6S)-4,6-dimethyl-7-phenylmethoxy-5-triethylsilyloxyhept-2-enoate
CID 71733874
(E,4S,5R,6S)-2,4,6-trimethyl-7-phenylmethoxy-5-triethylsilyloxyhept-2-en-1-ol
CID 15396349
(2S,3S)-3-[(4-methoxyphenyl)methoxy]-2,4-dimethylpentanal
CID 11118487
(2S,3S,4S)-3-[tert-butyl(dimethyl)silyl]oxy-2,4-dimethyl-5-phenylmethoxypentanal
CID 15000627
(4R,5S)-3-[(2R,3S,4S)-5-[(4-methoxyphenyl)methoxy]-2,4-dimethyl-3-triethylsilyloxypentanoyl]-4-methyl-5-phenyl-1,3-oxazolidin-2-one
CID 10792880
tert-butyl-[(Z,2S,3S,4S)-6-iodo-1-[(4-methoxyphenyl)methoxy]-2,4-dimethylhex-5-en-3-yl]oxy-dimethylsilane
CID 16732701
(2R,3S,4S)-2,4-dimethyl-3,5-bis(phenylmethoxy)pentanal
CID 11738903
(2S,3R,4S)-2,4-dimethyl-3,5-bis(phenylmethoxy)pentanal
CID 12995469
(2R,3R,4S)-2,4-dimethyl-3-triethylsilyloxy-5-trityloxypentanal
CID 10601557

Frequently Asked Questions

What is the IUPAC name of (2S,3R,4S)-5-[(4-methoxyphenyl)methoxy]-2,4-dimethyl-3-triethylsilyloxypentanal?
The IUPAC name of (2S,3R,4S)-5-[(4-methoxyphenyl)methoxy]-2,4-dimethyl-3-triethylsilyloxypentanal (CID 11176467) is (2S,3R,4S)-5-[(4-methoxyphenyl)methoxy]-2,4-dimethyl-3-triethylsilyloxypentanal.
What is the SMILES notation for (2S,3R,4S)-5-[(4-methoxyphenyl)methoxy]-2,4-dimethyl-3-triethylsilyloxypentanal?
The canonical SMILES for (2S,3R,4S)-5-[(4-methoxyphenyl)methoxy]-2,4-dimethyl-3-triethylsilyloxypentanal is CC[Si](CC)(CC)O[C@@H](C(C)C=O)[C@@H](C)COCc1ccc(OC)cc1.
What is the InChIKey of (2S,3R,4S)-5-[(4-methoxyphenyl)methoxy]-2,4-dimethyl-3-triethylsilyloxypentanal?
The InChIKey is UXTAQRKQZDKTMB-VLQCZPCNSA-N. The full InChI is InChI=1S/C21H36O4Si/c1-7-26(8-2,9-3)25-21(17(4)14-22)18(5)15-24-16-19-10-12-20(23-6)13-11-19/h10-14,17-18,21H,7-9,15-16H2,1-6H3/t17?,18-,21-/m0/s1.
What are the key properties of (2S,3R,4S)-5-[(4-methoxyphenyl)methoxy]-2,4-dimethyl-3-triethylsilyloxypentanal?
(2S,3R,4S)-5-[(4-methoxyphenyl)methoxy]-2,4-dimethyl-3-triethylsilyloxypentanal has a molecular weight of 380.60 g/mol, XLogP of 5.07, 13 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2S,3R,4S)-5-[(4-methoxyphenyl)methoxy]-2,4-dimethyl-3-triethylsilyloxypentanal is sourced from PubChem (CID 11176467), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).