(4R,5R)-4-[tert-butyl(dimethyl)silyl]oxy-5-(methoxymethoxy)nonadecanal

C27H56O4Si — CID 11762479

IUPAC(4R,5R)-4-[tert-butyl(dimethyl)silyl]oxy-5-(methoxymethoxy)nonadecanal
SMILESCCCCCCCCCCCCCC[C@@H](OCOC)[C@@H](CCC=O)O[Si](C)(C)C(C)(C)C
InChIInChI=1S/C27H56O4Si/c1-8-9-10-11-12-13-14-15-16-17-18-19-21-25(30-24-29-5)26(22-20-23-28)31-32(6,7)27(2,3)4/h23,25-26H,8-22,24H2,1-7H3/t25-,26-/m1/s1
InChIKeyLSTBOJJAMKMEHI-CLJLJLNGSA-N
MW472.83 g/mol
LogP8.44
Rot. Bonds22

About (4R,5R)-4-[tert-butyl(dimethyl)silyl]oxy-5-(methoxymethoxy)nonadecanal

(4R,5R)-4-[tert-butyl(dimethyl)silyl]oxy-5-(methoxymethoxy)nonadecanal (PubChem CID 11762479) has the molecular formula C27H56O4Si and a molecular weight of 472.83 g/mol. Its IUPAC name is (4R,5R)-4-[tert-butyl(dimethyl)silyl]oxy-5-(methoxymethoxy)nonadecanal.

Molecular Properties

Compound Name(4R,5R)-4-[tert-butyl(dimethyl)silyl]oxy-5-(methoxymethoxy)nonadecanal
PubChem CID11762479
Molecular FormulaC27H56O4Si
Molecular Weight472.83 g/mol
Exact Mass472.39
IUPAC Name(4R,5R)-4-[tert-butyl(dimethyl)silyl]oxy-5-(methoxymethoxy)nonadecanal
SMILESCCCCCCCCCCCCCC[C@@H](OCOC)[C@@H](CCC=O)O[Si](C)(C)C(C)(C)C
InChIInChI=1S/C27H56O4Si/c1-8-9-10-11-12-13-14-15-16-17-18-19-21-25(30-24-29-5)26(22-20-23-28)31-32(6,7)27(2,3)4/h23,25-26H,8-22,24H2,1-7H3/t25-,26-/m1/s1
InChIKeyLSTBOJJAMKMEHI-CLJLJLNGSA-N
XLogP8.44
TPSA44.76 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds22
Heavy Atoms32
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500472.83
LogP ≤ 58.44
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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'}, {'alert_name': 'het-C-het_not_in_ring', 'substructure': 'N/A'}

Analyze (4R,5R)-4-[tert-butyl(dimethyl)silyl]oxy-5-(methoxymethoxy)nonadecanal 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

(2S,4S,5S,6S)-7-[tert-butyl(dimethyl)silyl]oxy-5-(methoxymethoxy)-2,6-dimethyl-4-triethylsilyloxyheptanal
CID 134839881
(4R,5R)-4-[tert-butyl(dimethyl)silyl]oxy-5-(methoxymethoxy)-6-tri(propan-2-yl)silyloxyhexanal
CID 57792654
(7S)-7-[tert-butyl(dimethyl)silyl]oxy-1-(1,3-dioxolan-2-yl)decan-3-one
CID 153499438
(4R)-4-[tert-butyl(dimethyl)silyl]oxy-4-[(4S)-2,2-diethyl-1,3-dioxolan-4-yl]octanal
CID 10949071
(4R,5R)-4,5-bis[[tert-butyl(dimethyl)silyl]oxy]-7-[(4S,5S)-2,2-dimethyl-5-(3-oxopropyl)-1,3-dioxolan-4-yl]heptanal
CID 11145860
4-[(4S,5R)-5-[(1R)-1-[tert-butyl(dimethyl)silyl]oxypropyl]-2,2-dimethyl-1,3-dioxolan-4-yl]butan-2-one
CID 11961781
(3R,5S)-5-[tert-butyl(dimethyl)silyl]oxy-3-(methoxymethoxy)tetradecanal
CID 71479563
5-[5-[1-[Tert-butyl(dimethyl)silyl]oxyethyl]-2,2-dimethyl-1,3-dioxolan-4-yl]pentan-2-one
CID 101404352
(3S)-3-[tert-butyl(dimethyl)silyl]oxy-3-[(4R,5R)-2,2-dimethyl-5-pentyl-1,3-dioxolan-4-yl]propanal
CID 101724090
(5R,6R)-6-[tert-butyl(dimethyl)silyl]oxy-5-(methoxymethoxy)octan-2-one
CID 101895592
(8S)-8-[tert-butyl(dimethyl)silyl]oxy-1-[(4R)-2,2-dimethyl-1,3-dioxolan-4-yl]nonan-4-one
CID 102261254

Frequently Asked Questions

What is the IUPAC name of (4R,5R)-4-[tert-butyl(dimethyl)silyl]oxy-5-(methoxymethoxy)nonadecanal?
The IUPAC name of (4R,5R)-4-[tert-butyl(dimethyl)silyl]oxy-5-(methoxymethoxy)nonadecanal (CID 11762479) is (4R,5R)-4-[tert-butyl(dimethyl)silyl]oxy-5-(methoxymethoxy)nonadecanal.
What is the SMILES notation for (4R,5R)-4-[tert-butyl(dimethyl)silyl]oxy-5-(methoxymethoxy)nonadecanal?
The canonical SMILES for (4R,5R)-4-[tert-butyl(dimethyl)silyl]oxy-5-(methoxymethoxy)nonadecanal is CCCCCCCCCCCCCC[C@@H](OCOC)[C@@H](CCC=O)O[Si](C)(C)C(C)(C)C.
What is the InChIKey of (4R,5R)-4-[tert-butyl(dimethyl)silyl]oxy-5-(methoxymethoxy)nonadecanal?
The InChIKey is LSTBOJJAMKMEHI-CLJLJLNGSA-N. The full InChI is InChI=1S/C27H56O4Si/c1-8-9-10-11-12-13-14-15-16-17-18-19-21-25(30-24-29-5)26(22-20-23-28)31-32(6,7)27(2,3)4/h23,25-26H,8-22,24H2,1-7H3/t25-,26-/m1/s1.
What are the key properties of (4R,5R)-4-[tert-butyl(dimethyl)silyl]oxy-5-(methoxymethoxy)nonadecanal?
(4R,5R)-4-[tert-butyl(dimethyl)silyl]oxy-5-(methoxymethoxy)nonadecanal has a molecular weight of 472.83 g/mol, XLogP of 8.44, 22 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (4R,5R)-4-[tert-butyl(dimethyl)silyl]oxy-5-(methoxymethoxy)nonadecanal is sourced from PubChem (CID 11762479), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).