tributyl-[(2S,3R)-3-(methoxymethoxy)-1-tritylaziridin-2-yl]stannane

C35H49NO2Sn — CID 134883974

IUPACtributyl-[(2S,3R)-3-(methoxymethoxy)-1-tritylaziridin-2-yl]stannane
SMILESCCCC[Sn](CCCC)(CCCC)[C@H]1[C@@H](OCOC)N1C(c1ccccc1)(c1ccccc1)c1ccccc1
InChIInChI=1S/C23H22NO2.3C4H9.Sn/c1-25-18-26-22-17-24(22)23(19-11-5-2-6-12-19,20-13-7-3-8-14-20)21-15-9-4-10-16-21;3*1-3-4-2;/h2-17,22H,18H2,1H3;3*1,3-4H2,2H3;/t22-,24?;;;;/m1..../s1
InChIKeyGELMQDRPEXNKRR-NAXCBBDMSA-N
MW634.49 g/mol
LogP9.00
Rot. Bonds17

About tributyl-[(2S,3R)-3-(methoxymethoxy)-1-tritylaziridin-2-yl]stannane

tributyl-[(2S,3R)-3-(methoxymethoxy)-1-tritylaziridin-2-yl]stannane (PubChem CID 134883974) has the molecular formula C35H49NO2Sn and a molecular weight of 634.49 g/mol. Its IUPAC name is tributyl-[(2S,3R)-3-(methoxymethoxy)-1-tritylaziridin-2-yl]stannane.

Molecular Properties

Compound Nametributyl-[(2S,3R)-3-(methoxymethoxy)-1-tritylaziridin-2-yl]stannane
PubChem CID134883974
Molecular FormulaC35H49NO2Sn
Molecular Weight634.49 g/mol
Exact Mass635.28
IUPAC Nametributyl-[(2S,3R)-3-(methoxymethoxy)-1-tritylaziridin-2-yl]stannane
SMILESCCCC[Sn](CCCC)(CCCC)[C@H]1[C@@H](OCOC)N1C(c1ccccc1)(c1ccccc1)c1ccccc1
InChIInChI=1S/C23H22NO2.3C4H9.Sn/c1-25-18-26-22-17-24(22)23(19-11-5-2-6-12-19,20-13-7-3-8-14-20)21-15-9-4-10-16-21;3*1-3-4-2;/h2-17,22H,18H2,1H3;3*1,3-4H2,2H3;/t22-,24?;;;;/m1..../s1
InChIKeyGELMQDRPEXNKRR-NAXCBBDMSA-N
XLogP9.00
TPSA21.47 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds17
Heavy Atoms39
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500634.49
LogP ≤ 59.00
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'het-C-het_not_in_ring', 'substructure': 'N/A'}, {'alert_name': 'Three-membered_heterocycle', 'substructure': 'N/A'}, {'alert_name': 'triphenyl_methyl-silyl', 'substructure': 'N/A'}

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Related Compounds

tributyl-[(2S)-3-(methoxymethoxymethyl)-1-tritylaziridin-2-yl]stannane
CID 135050729
tert-butylbenzene;hexane
CID 175254424
tributyl-[1-(2-trityloxyethyl)imidazol-4-yl]stannane
CID 90407313
sulfane;bis(tributyl(phenyl)stannane)
CID 67835272
1-octadecoxy-1-phenylethanol
CID 175437177
1-methoxy-2-phenylheptan-2-ol
CID 103465294
(2-butoxy-1,1,1-triethoxydecan-2-yl)benzene
CID 151224726
(3S)-3-(2-methoxyethyl)-1-tritylpiperazine
CID 58758610
(2R,3S)-1-benzyl-2-(methoxymethoxymethyl)-3-pentylaziridine
CID 101172450
methyl (1R,2S,3R)-2-[(E)-2-phenylethenyl]-3-tributylstannylcyclopropane-1-carboxylate
CID 10624932
tributyl-[3-[2-(methoxymethyl)pyrrolidin-1-yl]cyclopent-2-en-1-yl]stannane
CID 14250116
methyl (2S,3R)-3-methyl-1-tritylaziridine-2-carboxylate
CID 24865488

Frequently Asked Questions

What is the IUPAC name of tributyl-[(2S,3R)-3-(methoxymethoxy)-1-tritylaziridin-2-yl]stannane?
The IUPAC name of tributyl-[(2S,3R)-3-(methoxymethoxy)-1-tritylaziridin-2-yl]stannane (CID 134883974) is tributyl-[(2S,3R)-3-(methoxymethoxy)-1-tritylaziridin-2-yl]stannane.
What is the SMILES notation for tributyl-[(2S,3R)-3-(methoxymethoxy)-1-tritylaziridin-2-yl]stannane?
The canonical SMILES for tributyl-[(2S,3R)-3-(methoxymethoxy)-1-tritylaziridin-2-yl]stannane is CCCC[Sn](CCCC)(CCCC)[C@H]1[C@@H](OCOC)N1C(c1ccccc1)(c1ccccc1)c1ccccc1.
What is the InChIKey of tributyl-[(2S,3R)-3-(methoxymethoxy)-1-tritylaziridin-2-yl]stannane?
The InChIKey is GELMQDRPEXNKRR-NAXCBBDMSA-N. The full InChI is InChI=1S/C23H22NO2.3C4H9.Sn/c1-25-18-26-22-17-24(22)23(19-11-5-2-6-12-19,20-13-7-3-8-14-20)21-15-9-4-10-16-21;3*1-3-4-2;/h2-17,22H,18H2,1H3;3*1,3-4H2,2H3;/t22-,24?;;;;/m1..../s1.
What are the key properties of tributyl-[(2S,3R)-3-(methoxymethoxy)-1-tritylaziridin-2-yl]stannane?
tributyl-[(2S,3R)-3-(methoxymethoxy)-1-tritylaziridin-2-yl]stannane has a molecular weight of 634.49 g/mol, XLogP of 9.00, 17 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for tributyl-[(2S,3R)-3-(methoxymethoxy)-1-tritylaziridin-2-yl]stannane is sourced from PubChem (CID 134883974), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).