(E)-3-[2,2-dimethyl-5-(tributylstannyloxymethyl)-1,3-dioxolan-4-yl]-N,2,3-tris(phenylmethoxy)propan-1-imine

C42H61NO6Sn — CID 135041590

IUPAC(E)-3-[2,2-dimethyl-5-(tributylstannyloxymethyl)-1,3-dioxolan-4-yl]-N,2,3-tris(phenylmethoxy)propan-1-imine
SMILESCCCC[Sn](CCCC)(CCCC)OCC1OC(C)(C)OC1C(OCc1ccccc1)C(/C=N/OCc1ccccc1)OCc1ccccc1
InChIInChI=1S/C30H34NO6.3C4H9.Sn/c1-30(2)36-27(19-32)29(37-30)28(34-21-24-14-8-4-9-15-24)26(33-20-23-12-6-3-7-13-23)18-31-35-22-25-16-10-5-11-17-25;3*1-3-4-2;/h3-18,26-29H,19-22H2,1-2H3;3*1,3-4H2,2H3;/q-1;;;;+1/b31-18+;;;;
InChIKeyOJPPVEXQBMAGBJ-CJHXMHHHSA-N
MW794.66 g/mol
LogP10.24
Rot. Bonds24

About (E)-3-[2,2-dimethyl-5-(tributylstannyloxymethyl)-1,3-dioxolan-4-yl]-N,2,3-tris(phenylmethoxy)propan-1-imine

(E)-3-[2,2-dimethyl-5-(tributylstannyloxymethyl)-1,3-dioxolan-4-yl]-N,2,3-tris(phenylmethoxy)propan-1-imine (PubChem CID 135041590) has the molecular formula C42H61NO6Sn and a molecular weight of 794.66 g/mol. Its IUPAC name is (E)-3-[2,2-dimethyl-5-(tributylstannyloxymethyl)-1,3-dioxolan-4-yl]-N,2,3-tris(phenylmethoxy)propan-1-imine.

Molecular Properties

Compound Name(E)-3-[2,2-dimethyl-5-(tributylstannyloxymethyl)-1,3-dioxolan-4-yl]-N,2,3-tris(phenylmethoxy)propan-1-imine
PubChem CID135041590
Molecular FormulaC42H61NO6Sn
Molecular Weight794.66 g/mol
Exact Mass795.35
IUPAC Name(E)-3-[2,2-dimethyl-5-(tributylstannyloxymethyl)-1,3-dioxolan-4-yl]-N,2,3-tris(phenylmethoxy)propan-1-imine
SMILESCCCC[Sn](CCCC)(CCCC)OCC1OC(C)(C)OC1C(OCc1ccccc1)C(/C=N/OCc1ccccc1)OCc1ccccc1
InChIInChI=1S/C30H34NO6.3C4H9.Sn/c1-30(2)36-27(19-32)29(37-30)28(34-21-24-14-8-4-9-15-24)26(33-20-23-12-6-3-7-13-23)18-31-35-22-25-16-10-5-11-17-25;3*1-3-4-2;/h3-18,26-29H,19-22H2,1-2H3;3*1,3-4H2,2H3;/q-1;;;;+1/b31-18+;;;;
InChIKeyOJPPVEXQBMAGBJ-CJHXMHHHSA-N
XLogP10.24
TPSA67.74 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds24
Heavy Atoms50
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500794.66
LogP ≤ 510.24
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

Analyze (E)-3-[2,2-dimethyl-5-(tributylstannyloxymethyl)-1,3-dioxolan-4-yl]-N,2,3-tris(phenylmethoxy)propan-1-imine 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

[(5E)-5-methoxyimino-1,3,4-tris(phenylmethoxy)pentan-2-yl] methanesulfonate
CID 118108759
(E)-2,2-difluoro-N-phenylmethoxy-2-[(2R,3R,4S,5S,6R)-2,3,4,5-tetrakis(phenylmethoxy)-6-(phenylmethoxymethyl)oxan-2-yl]ethanimine
CID 167169416
(NE)-N-[[(4S,5S)-2,2-dimethyl-5-(phenylmethoxymethyl)-1,3-dioxolan-4-yl]methylidene]hydroxylamine
CID 10912415
(2R,3R,4R,5E)-5-hydroxyimino-1,3,4-tris(phenylmethoxy)pentan-2-ol
CID 11750908
(2S)-N-benzyl-2-[(4R,5R)-5-[(4R)-2,2-dimethyl-1,3-dioxolan-4-yl]-2,2-dimethyl-1,3-dioxolan-4-yl]-2-phenylmethoxyethanimine
CID 11751016
(5E)-5-methoxyimino-2,3,4-tris(phenylmethoxy)pentan-1-ol
CID 14309454
(2S,3S,4R,5R)-2-(diazomethyl)-3,4-bis(phenylmethoxy)-5-(phenylmethoxymethyl)oxolane
CID 14408987
1-[5-[(E)-hydroxyiminomethyl]-2,2-dimethyl-1,3-dioxolan-4-yl]-2-trityloxyethanol
CID 14409401
(NZ)-N-[(3aR,6R,6aR)-2,2-dimethyl-6-(trityloxymethyl)-6,6a-dihydro-3aH-furo[3,4-d][1,3]dioxol-4-ylidene]hydroxylamine
CID 14409405
(NE)-N-[(3R,4S,5R,6R)-3,4,5-tris(phenylmethoxy)-6-(phenylmethoxymethyl)oxan-2-ylidene]hydroxylamine
CID 14428686
[(1S,2S)-3-bromo-1-[(4R,5S)-2,2-dimethyl-5-(phenylmethoxyiminomethyl)-1,3-dioxolan-4-yl]-1-phenylmethoxypropan-2-yl] acetate
CID 90813380
(NE)-N-[(3aR,6R,6aR)-2,2-dimethyl-6-(trityloxymethyl)-6,6a-dihydro-3aH-furo[3,4-d][1,3]dioxol-4-ylidene]hydroxylamine
CID 101036059

Frequently Asked Questions

What is the IUPAC name of (E)-3-[2,2-dimethyl-5-(tributylstannyloxymethyl)-1,3-dioxolan-4-yl]-N,2,3-tris(phenylmethoxy)propan-1-imine?
The IUPAC name of (E)-3-[2,2-dimethyl-5-(tributylstannyloxymethyl)-1,3-dioxolan-4-yl]-N,2,3-tris(phenylmethoxy)propan-1-imine (CID 135041590) is (E)-3-[2,2-dimethyl-5-(tributylstannyloxymethyl)-1,3-dioxolan-4-yl]-N,2,3-tris(phenylmethoxy)propan-1-imine.
What is the SMILES notation for (E)-3-[2,2-dimethyl-5-(tributylstannyloxymethyl)-1,3-dioxolan-4-yl]-N,2,3-tris(phenylmethoxy)propan-1-imine?
The canonical SMILES for (E)-3-[2,2-dimethyl-5-(tributylstannyloxymethyl)-1,3-dioxolan-4-yl]-N,2,3-tris(phenylmethoxy)propan-1-imine is CCCC[Sn](CCCC)(CCCC)OCC1OC(C)(C)OC1C(OCc1ccccc1)C(/C=N/OCc1ccccc1)OCc1ccccc1.
What is the InChIKey of (E)-3-[2,2-dimethyl-5-(tributylstannyloxymethyl)-1,3-dioxolan-4-yl]-N,2,3-tris(phenylmethoxy)propan-1-imine?
The InChIKey is OJPPVEXQBMAGBJ-CJHXMHHHSA-N. The full InChI is InChI=1S/C30H34NO6.3C4H9.Sn/c1-30(2)36-27(19-32)29(37-30)28(34-21-24-14-8-4-9-15-24)26(33-20-23-12-6-3-7-13-23)18-31-35-22-25-16-10-5-11-17-25;3*1-3-4-2;/h3-18,26-29H,19-22H2,1-2H3;3*1,3-4H2,2H3;/q-1;;;;+1/b31-18+;;;;.
What are the key properties of (E)-3-[2,2-dimethyl-5-(tributylstannyloxymethyl)-1,3-dioxolan-4-yl]-N,2,3-tris(phenylmethoxy)propan-1-imine?
(E)-3-[2,2-dimethyl-5-(tributylstannyloxymethyl)-1,3-dioxolan-4-yl]-N,2,3-tris(phenylmethoxy)propan-1-imine has a molecular weight of 794.66 g/mol, XLogP of 10.24, 24 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for (E)-3-[2,2-dimethyl-5-(tributylstannyloxymethyl)-1,3-dioxolan-4-yl]-N,2,3-tris(phenylmethoxy)propan-1-imine is sourced from PubChem (CID 135041590), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).