[(1R,2R)-4,4-dimethyl-2-[(R)-phenyl(tributylstannyl)methyl]cyclopentyl] 2,2,4,4-tetramethyl-1,3-oxazolidine-3-carboxylate

C34H59NO3Sn — CID 134998915

IUPAC[(1R,2R)-4,4-dimethyl-2-[(R)-phenyl(tributylstannyl)methyl]cyclopentyl] 2,2,4,4-tetramethyl-1,3-oxazolidine-3-carboxylate
SMILESCCCC[Sn](CCCC)(CCCC)[C@@H](c1ccccc1)[C@@H]1CC(C)(C)C[C@H]1OC(=O)N1C(C)(C)COC1(C)C
InChIInChI=1S/C22H32NO3.3C4H9.Sn/c1-20(2)13-17(12-16-10-8-7-9-11-16)18(14-20)26-19(24)23-21(3,4)15-25-22(23,5)6;3*1-3-4-2;/h7-12,17-18H,13-15H2,1-6H3;3*1,3-4H2,2H3;/t17-,18-;;;;/m1..../s1
InChIKeyWOFORULNBZDTJG-VKBKZCJQSA-N
MW648.56 g/mol
LogP9.95
Rot. Bonds13

About [(1R,2R)-4,4-dimethyl-2-[(R)-phenyl(tributylstannyl)methyl]cyclopentyl] 2,2,4,4-tetramethyl-1,3-oxazolidine-3-carboxylate

[(1R,2R)-4,4-dimethyl-2-[(R)-phenyl(tributylstannyl)methyl]cyclopentyl] 2,2,4,4-tetramethyl-1,3-oxazolidine-3-carboxylate (PubChem CID 134998915) has the molecular formula C34H59NO3Sn and a molecular weight of 648.56 g/mol. Its IUPAC name is [(1R,2R)-4,4-dimethyl-2-[(R)-phenyl(tributylstannyl)methyl]cyclopentyl] 2,2,4,4-tetramethyl-1,3-oxazolidine-3-carboxylate.

Molecular Properties

Compound Name[(1R,2R)-4,4-dimethyl-2-[(R)-phenyl(tributylstannyl)methyl]cyclopentyl] 2,2,4,4-tetramethyl-1,3-oxazolidine-3-carboxylate
PubChem CID134998915
Molecular FormulaC34H59NO3Sn
Molecular Weight648.56 g/mol
Exact Mass649.35
IUPAC Name[(1R,2R)-4,4-dimethyl-2-[(R)-phenyl(tributylstannyl)methyl]cyclopentyl] 2,2,4,4-tetramethyl-1,3-oxazolidine-3-carboxylate
SMILESCCCC[Sn](CCCC)(CCCC)[C@@H](c1ccccc1)[C@@H]1CC(C)(C)C[C@H]1OC(=O)N1C(C)(C)COC1(C)C
InChIInChI=1S/C22H32NO3.3C4H9.Sn/c1-20(2)13-17(12-16-10-8-7-9-11-16)18(14-20)26-19(24)23-21(3,4)15-25-22(23,5)6;3*1-3-4-2;/h7-12,17-18H,13-15H2,1-6H3;3*1,3-4H2,2H3;/t17-,18-;;;;/m1..../s1
InChIKeyWOFORULNBZDTJG-VKBKZCJQSA-N
XLogP9.95
TPSA38.77 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds13
Heavy Atoms39
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500648.56
LogP ≤ 59.95
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Analyze [(1R,2R)-4,4-dimethyl-2-[(R)-phenyl(tributylstannyl)methyl]cyclopentyl] 2,2,4,4-tetramethyl-1,3-oxazolidine-3-carboxylate with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of [(1R,2R)-4,4-dimethyl-2-[(R)-phenyl(tributylstannyl)methyl]cyclopentyl] 2,2,4,4-tetramethyl-1,3-oxazolidine-3-carboxylate?
The IUPAC name of [(1R,2R)-4,4-dimethyl-2-[(R)-phenyl(tributylstannyl)methyl]cyclopentyl] 2,2,4,4-tetramethyl-1,3-oxazolidine-3-carboxylate (CID 134998915) is [(1R,2R)-4,4-dimethyl-2-[(R)-phenyl(tributylstannyl)methyl]cyclopentyl] 2,2,4,4-tetramethyl-1,3-oxazolidine-3-carboxylate.
What is the SMILES notation for [(1R,2R)-4,4-dimethyl-2-[(R)-phenyl(tributylstannyl)methyl]cyclopentyl] 2,2,4,4-tetramethyl-1,3-oxazolidine-3-carboxylate?
The canonical SMILES for [(1R,2R)-4,4-dimethyl-2-[(R)-phenyl(tributylstannyl)methyl]cyclopentyl] 2,2,4,4-tetramethyl-1,3-oxazolidine-3-carboxylate is CCCC[Sn](CCCC)(CCCC)[C@@H](c1ccccc1)[C@@H]1CC(C)(C)C[C@H]1OC(=O)N1C(C)(C)COC1(C)C.
What is the InChIKey of [(1R,2R)-4,4-dimethyl-2-[(R)-phenyl(tributylstannyl)methyl]cyclopentyl] 2,2,4,4-tetramethyl-1,3-oxazolidine-3-carboxylate?
The InChIKey is WOFORULNBZDTJG-VKBKZCJQSA-N. The full InChI is InChI=1S/C22H32NO3.3C4H9.Sn/c1-20(2)13-17(12-16-10-8-7-9-11-16)18(14-20)26-19(24)23-21(3,4)15-25-22(23,5)6;3*1-3-4-2;/h7-12,17-18H,13-15H2,1-6H3;3*1,3-4H2,2H3;/t17-,18-;;;;/m1..../s1.
What are the key properties of [(1R,2R)-4,4-dimethyl-2-[(R)-phenyl(tributylstannyl)methyl]cyclopentyl] 2,2,4,4-tetramethyl-1,3-oxazolidine-3-carboxylate?
[(1R,2R)-4,4-dimethyl-2-[(R)-phenyl(tributylstannyl)methyl]cyclopentyl] 2,2,4,4-tetramethyl-1,3-oxazolidine-3-carboxylate has a molecular weight of 648.56 g/mol, XLogP of 9.95, 13 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [(1R,2R)-4,4-dimethyl-2-[(R)-phenyl(tributylstannyl)methyl]cyclopentyl] 2,2,4,4-tetramethyl-1,3-oxazolidine-3-carboxylate is sourced from PubChem (CID 134998915), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).