(4S,5S)-4-methyl-7-phenylmethoxy-5-triethylsilyloxyheptanal

C21H36O3Si — CID 11382954

IUPAC(4S,5S)-4-methyl-7-phenylmethoxy-5-triethylsilyloxyheptanal
SMILESCC[Si](CC)(CC)O[C@@H](CCOCc1ccccc1)[C@@H](C)CCC=O
InChIInChI=1S/C21H36O3Si/c1-5-25(6-2,7-3)24-21(19(4)12-11-16-22)15-17-23-18-20-13-9-8-10-14-20/h8-10,13-14,16,19,21H,5-7,11-12,15,17-18H2,1-4H3/t19-,21-/m0/s1
InChIKeySGELHQHAVDZLMJ-FPOVZHCZSA-N
MW364.60 g/mol
LogP5.60
Rot. Bonds14

About (4S,5S)-4-methyl-7-phenylmethoxy-5-triethylsilyloxyheptanal

(4S,5S)-4-methyl-7-phenylmethoxy-5-triethylsilyloxyheptanal (PubChem CID 11382954) has the molecular formula C21H36O3Si and a molecular weight of 364.60 g/mol. Its IUPAC name is (4S,5S)-4-methyl-7-phenylmethoxy-5-triethylsilyloxyheptanal.

Molecular Properties

Compound Name(4S,5S)-4-methyl-7-phenylmethoxy-5-triethylsilyloxyheptanal
PubChem CID11382954
Molecular FormulaC21H36O3Si
Molecular Weight364.60 g/mol
Exact Mass364.24
IUPAC Name(4S,5S)-4-methyl-7-phenylmethoxy-5-triethylsilyloxyheptanal
SMILESCC[Si](CC)(CC)O[C@@H](CCOCc1ccccc1)[C@@H](C)CCC=O
InChIInChI=1S/C21H36O3Si/c1-5-25(6-2,7-3)24-21(19(4)12-11-16-22)15-17-23-18-20-13-9-8-10-14-20/h8-10,13-14,16,19,21H,5-7,11-12,15,17-18H2,1-4H3/t19-,21-/m0/s1
InChIKeySGELHQHAVDZLMJ-FPOVZHCZSA-N
XLogP5.60
TPSA35.53 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds14
Heavy Atoms25
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500364.60
LogP ≤ 55.60
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aldehyde', 'substructure': 'N/A'}, {'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'heavy_metal', 'substructure': 'N/A'}

Analyze (4S,5S)-4-methyl-7-phenylmethoxy-5-triethylsilyloxyheptanal 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,3R)-2-methyl-5-phenylmethoxy-3-triethylsilyloxypentan-1-ol
CID 71734812
(4S,5S)-5-[tert-butyl(dimethyl)silyl]oxy-4-methyl-8-phenylmethoxyoctanal
CID 51041198
(E,4S,5S)-4-methyl-7-phenylmethoxy-5-triethylsilyloxyhept-2-en-1-ol
CID 11824661
(2S,3S,4S,5S)-2,4-dimethyl-7-phenylmethoxy-5-triethylsilyloxyheptane-1,3-diol
CID 10927398
methyl (E,4S,5R)-4-methyl-7-phenylmethoxy-5-triethylsilyloxyhept-2-enoate
CID 71733589
triethyl-[(E)-2-methyl-10-phenylmethoxydec-5-en-3-yl]oxysilane
CID 102122621
[(3S,4R,5R,6R)-7-(benzenesulfonyl)-4,6-dimethyl-1-phenylmethoxy-5-triethylsilyloxyheptan-3-yl]oxy-triethylsilane
CID 11017650
(3R,4R)-6-[tert-butyl(diphenyl)silyl]oxy-3-methyl-4-triethylsilyloxyhexanal
CID 11179531
4-(2-phenylmethoxyethyl)hex-5-enal
CID 139530154
(E,4R,5S)-4-methyl-6-phenylmethoxy-5-triethylsilyloxyhex-2-en-1-ol
CID 15396344
(4R,5R)-4,5-bis[[tert-butyl(dimethyl)silyl]oxy]-8-phenylmethoxyoctanal
CID 11081542
(4R)-4-(phenylmethoxymethyl)hexanal
CID 89139563

Frequently Asked Questions

What is the IUPAC name of (4S,5S)-4-methyl-7-phenylmethoxy-5-triethylsilyloxyheptanal?
The IUPAC name of (4S,5S)-4-methyl-7-phenylmethoxy-5-triethylsilyloxyheptanal (CID 11382954) is (4S,5S)-4-methyl-7-phenylmethoxy-5-triethylsilyloxyheptanal.
What is the SMILES notation for (4S,5S)-4-methyl-7-phenylmethoxy-5-triethylsilyloxyheptanal?
The canonical SMILES for (4S,5S)-4-methyl-7-phenylmethoxy-5-triethylsilyloxyheptanal is CC[Si](CC)(CC)O[C@@H](CCOCc1ccccc1)[C@@H](C)CCC=O.
What is the InChIKey of (4S,5S)-4-methyl-7-phenylmethoxy-5-triethylsilyloxyheptanal?
The InChIKey is SGELHQHAVDZLMJ-FPOVZHCZSA-N. The full InChI is InChI=1S/C21H36O3Si/c1-5-25(6-2,7-3)24-21(19(4)12-11-16-22)15-17-23-18-20-13-9-8-10-14-20/h8-10,13-14,16,19,21H,5-7,11-12,15,17-18H2,1-4H3/t19-,21-/m0/s1.
What are the key properties of (4S,5S)-4-methyl-7-phenylmethoxy-5-triethylsilyloxyheptanal?
(4S,5S)-4-methyl-7-phenylmethoxy-5-triethylsilyloxyheptanal has a molecular weight of 364.60 g/mol, XLogP of 5.60, 14 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (4S,5S)-4-methyl-7-phenylmethoxy-5-triethylsilyloxyheptanal is sourced from PubChem (CID 11382954), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).