N-[[(2R,3S,5S)-3-[tert-butyl(diphenyl)silyl]oxy-5-ethyloxolan-2-yl]methoxy]-1-[(1R,4R,7S)-1-ethyl-2,5-dioxabicyclo[2.2.1]heptan-7-yl]-N-methylmethanamine

C32H47NO5Si — CID 58288120

IUPACN-[[(2R,3S,5S)-3-[tert-butyl(diphenyl)silyl]oxy-5-ethyloxolan-2-yl]methoxy]-1-[(1R,4R,7S)-1-ethyl-2,5-dioxabicyclo[2.2.1]heptan-7-yl]-N-methylmethanamine
SMILESCC[C@H]1C[C@H](O[Si](c2ccccc2)(c2ccccc2)C(C)(C)C)[C@@H](CON(C)C[C@H]2[C@@H]3CO[C@@]2(CC)CO3)O1
InChIInChI=1S/C32H47NO5Si/c1-7-24-19-28(30(37-24)22-36-33(6)20-27-29-21-35-32(27,8-2)23-34-29)38-39(31(3,4)5,25-15-11-9-12-16-25)26-17-13-10-14-18-26/h9-18,24,27-30H,7-8,19-23H2,1-6H3/t24-,27-,28-,29-,30+,32-/m0/s1
InChIKeyDYTJVBWEZBXHRR-UWOVZFGRSA-N
MW553.82 g/mol
LogP4.56
Rot. Bonds11

About N-[[(2R,3S,5S)-3-[tert-butyl(diphenyl)silyl]oxy-5-ethyloxolan-2-yl]methoxy]-1-[(1R,4R,7S)-1-ethyl-2,5-dioxabicyclo[2.2.1]heptan-7-yl]-N-methylmethanamine

N-[[(2R,3S,5S)-3-[tert-butyl(diphenyl)silyl]oxy-5-ethyloxolan-2-yl]methoxy]-1-[(1R,4R,7S)-1-ethyl-2,5-dioxabicyclo[2.2.1]heptan-7-yl]-N-methylmethanamine (PubChem CID 58288120) has the molecular formula C32H47NO5Si and a molecular weight of 553.82 g/mol. Its IUPAC name is N-[[(2R,3S,5S)-3-[tert-butyl(diphenyl)silyl]oxy-5-ethyloxolan-2-yl]methoxy]-1-[(1R,4R,7S)-1-ethyl-2,5-dioxabicyclo[2.2.1]heptan-7-yl]-N-methylmethanamine.

Molecular Properties

Compound NameN-[[(2R,3S,5S)-3-[tert-butyl(diphenyl)silyl]oxy-5-ethyloxolan-2-yl]methoxy]-1-[(1R,4R,7S)-1-ethyl-2,5-dioxabicyclo[2.2.1]heptan-7-yl]-N-methylmethanamine
PubChem CID58288120
Molecular FormulaC32H47NO5Si
Molecular Weight553.82 g/mol
Exact Mass553.32
IUPAC NameN-[[(2R,3S,5S)-3-[tert-butyl(diphenyl)silyl]oxy-5-ethyloxolan-2-yl]methoxy]-1-[(1R,4R,7S)-1-ethyl-2,5-dioxabicyclo[2.2.1]heptan-7-yl]-N-methylmethanamine
SMILESCC[C@H]1C[C@H](O[Si](c2ccccc2)(c2ccccc2)C(C)(C)C)[C@@H](CON(C)C[C@H]2[C@@H]3CO[C@@]2(CC)CO3)O1
InChIInChI=1S/C32H47NO5Si/c1-7-24-19-28(30(37-24)22-36-33(6)20-27-29-21-35-32(27,8-2)23-34-29)38-39(31(3,4)5,25-15-11-9-12-16-25)26-17-13-10-14-18-26/h9-18,24,27-30H,7-8,19-23H2,1-6H3/t24-,27-,28-,29-,30+,32-/m0/s1
InChIKeyDYTJVBWEZBXHRR-UWOVZFGRSA-N
XLogP4.56
TPSA49.39 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds11
Heavy Atoms39
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500553.82
LogP ≤ 54.56
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'heavy_metal', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

Analyze N-[[(2R,3S,5S)-3-[tert-butyl(diphenyl)silyl]oxy-5-ethyloxolan-2-yl]methoxy]-1-[(1R,4R,7S)-1-ethyl-2,5-dioxabicyclo[2.2.1]heptan-7-yl]-N-methylmethanamine with MolForge

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Related Compounds

tert-butyl-[(2R,3R,5R)-5-[(4S)-2,2-dimethyl-1,3-dioxolan-4-yl]-2-[(E)-5-trimethylsilylpent-2-en-4-ynyl]oxolan-3-yl]oxy-diphenylsilane
CID 10816744
tert-butyl-[(2R,3S,5S)-2-[[tert-butyl(dimethyl)silyl]oxymethyl]-5-[(Z)-prop-1-enyl]oxolan-3-yl]oxy-diphenylsilane
CID 101161585
2-[(2S,3R,4R)-4-[tert-butyl(diphenyl)silyl]oxy-2-[(4R)-2,2-dimethyl-1,3-dioxolan-4-yl]oxolan-3-yl]ethanol
CID 12039247
tert-butyl-[[(1R,2R,6R)-7-oxabicyclo[4.1.0]heptan-2-yl]oxy]-diphenylsilane
CID 11462313
(3R,5Z,8R,9S)-8-[tert-butyl(diphenyl)silyl]oxy-9-ethyl-2-(hydroxymethyl)-2,3,4,7,8,9-hexahydrooxonin-3-ol
CID 134931829
tert-butyl-[[(4R,5R)-7-ethenyl-4-ethyl-2-(phenylselanylmethyl)-1,3-dioxepan-5-yl]oxy]-diphenylsilane
CID 134937702
2-[(2R,3S,5R)-3-[tert-butyl(diphenyl)silyl]oxy-5-methoxyoxolan-2-yl]prop-2-enyl acetate
CID 10939389
(2R,4S)-4-[tert-butyl(diphenyl)silyl]oxy-2-[(4R)-2,2-dimethyl-1,3-dioxolan-4-yl]oxolan-3-one
CID 12039244
tert-butyl-[(1S,2R,5S)-2-methyl-5-(2-methyloxiran-2-yl)cyclohex-3-en-1-yl]oxy-diphenylsilane
CID 11223498
1-[(2R,5R)-4-[tert-butyl(diphenyl)silyl]oxy-5-ethyloxolan-2-yl]-5-methylpyrimidine-2,4-dione;1-[(2R,5R)-4-[tert-butyl(diphenyl)silyl]oxy-5-(hydroxymethyl)oxolan-2-yl]-5-methylpyrimidine-2,4-dione;deuterioethane
CID 158715175
(3S,4S,5S,6S)-3-[tert-butyl(diphenyl)silyl]oxy-6-(hydroxymethyl)oxane-2,4,5-triol
CID 10811969
(3R,6S)-6-[[tert-butyl(diphenyl)silyl]oxymethyl]oxan-3-amine
CID 142544481

Frequently Asked Questions

What is the IUPAC name of N-[[(2R,3S,5S)-3-[tert-butyl(diphenyl)silyl]oxy-5-ethyloxolan-2-yl]methoxy]-1-[(1R,4R,7S)-1-ethyl-2,5-dioxabicyclo[2.2.1]heptan-7-yl]-N-methylmethanamine?
The IUPAC name of N-[[(2R,3S,5S)-3-[tert-butyl(diphenyl)silyl]oxy-5-ethyloxolan-2-yl]methoxy]-1-[(1R,4R,7S)-1-ethyl-2,5-dioxabicyclo[2.2.1]heptan-7-yl]-N-methylmethanamine (CID 58288120) is N-[[(2R,3S,5S)-3-[tert-butyl(diphenyl)silyl]oxy-5-ethyloxolan-2-yl]methoxy]-1-[(1R,4R,7S)-1-ethyl-2,5-dioxabicyclo[2.2.1]heptan-7-yl]-N-methylmethanamine.
What is the SMILES notation for N-[[(2R,3S,5S)-3-[tert-butyl(diphenyl)silyl]oxy-5-ethyloxolan-2-yl]methoxy]-1-[(1R,4R,7S)-1-ethyl-2,5-dioxabicyclo[2.2.1]heptan-7-yl]-N-methylmethanamine?
The canonical SMILES for N-[[(2R,3S,5S)-3-[tert-butyl(diphenyl)silyl]oxy-5-ethyloxolan-2-yl]methoxy]-1-[(1R,4R,7S)-1-ethyl-2,5-dioxabicyclo[2.2.1]heptan-7-yl]-N-methylmethanamine is CC[C@H]1C[C@H](O[Si](c2ccccc2)(c2ccccc2)C(C)(C)C)[C@@H](CON(C)C[C@H]2[C@@H]3CO[C@@]2(CC)CO3)O1.
What is the InChIKey of N-[[(2R,3S,5S)-3-[tert-butyl(diphenyl)silyl]oxy-5-ethyloxolan-2-yl]methoxy]-1-[(1R,4R,7S)-1-ethyl-2,5-dioxabicyclo[2.2.1]heptan-7-yl]-N-methylmethanamine?
The InChIKey is DYTJVBWEZBXHRR-UWOVZFGRSA-N. The full InChI is InChI=1S/C32H47NO5Si/c1-7-24-19-28(30(37-24)22-36-33(6)20-27-29-21-35-32(27,8-2)23-34-29)38-39(31(3,4)5,25-15-11-9-12-16-25)26-17-13-10-14-18-26/h9-18,24,27-30H,7-8,19-23H2,1-6H3/t24-,27-,28-,29-,30+,32-/m0/s1.
What are the key properties of N-[[(2R,3S,5S)-3-[tert-butyl(diphenyl)silyl]oxy-5-ethyloxolan-2-yl]methoxy]-1-[(1R,4R,7S)-1-ethyl-2,5-dioxabicyclo[2.2.1]heptan-7-yl]-N-methylmethanamine?
N-[[(2R,3S,5S)-3-[tert-butyl(diphenyl)silyl]oxy-5-ethyloxolan-2-yl]methoxy]-1-[(1R,4R,7S)-1-ethyl-2,5-dioxabicyclo[2.2.1]heptan-7-yl]-N-methylmethanamine has a molecular weight of 553.82 g/mol, XLogP of 4.56, 11 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[(2R,3S,5S)-3-[tert-butyl(diphenyl)silyl]oxy-5-ethyloxolan-2-yl]methoxy]-1-[(1R,4R,7S)-1-ethyl-2,5-dioxabicyclo[2.2.1]heptan-7-yl]-N-methylmethanamine is sourced from PubChem (CID 58288120), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).