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

C32H55NO3Sn — CID 134997446

IUPAC[(1R,2R)-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]1CCC[C@H]1OC(=O)N1C(C)(C)COC1(C)C
InChIInChI=1S/C20H28NO3.3C4H9.Sn/c1-19(2)14-23-20(3,4)21(19)18(22)24-17-12-8-11-16(17)13-15-9-6-5-7-10-15;3*1-3-4-2;/h5-7,9-10,13,16-17H,8,11-12,14H2,1-4H3;3*1,3-4H2,2H3;/t16-,17+;;;;/m0..../s1
InChIKeyDKUMOPKHRFWFEF-OKRZSZEPSA-N
MW620.51 g/mol
LogP9.31
Rot. Bonds13

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

[(1R,2R)-2-[(R)-phenyl(tributylstannyl)methyl]cyclopentyl] 2,2,4,4-tetramethyl-1,3-oxazolidine-3-carboxylate (PubChem CID 134997446) has the molecular formula C32H55NO3Sn and a molecular weight of 620.51 g/mol. Its IUPAC name is [(1R,2R)-2-[(R)-phenyl(tributylstannyl)methyl]cyclopentyl] 2,2,4,4-tetramethyl-1,3-oxazolidine-3-carboxylate.

Molecular Properties

Compound Name[(1R,2R)-2-[(R)-phenyl(tributylstannyl)methyl]cyclopentyl] 2,2,4,4-tetramethyl-1,3-oxazolidine-3-carboxylate
PubChem CID134997446
Molecular FormulaC32H55NO3Sn
Molecular Weight620.51 g/mol
Exact Mass621.32
IUPAC Name[(1R,2R)-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]1CCC[C@H]1OC(=O)N1C(C)(C)COC1(C)C
InChIInChI=1S/C20H28NO3.3C4H9.Sn/c1-19(2)14-23-20(3,4)21(19)18(22)24-17-12-8-11-16(17)13-15-9-6-5-7-10-15;3*1-3-4-2;/h5-7,9-10,13,16-17H,8,11-12,14H2,1-4H3;3*1,3-4H2,2H3;/t16-,17+;;;;/m0..../s1
InChIKeyDKUMOPKHRFWFEF-OKRZSZEPSA-N
XLogP9.31
TPSA38.77 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds13
Heavy Atoms37
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500620.51
LogP ≤ 59.31
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of [(1R,2R)-2-[(R)-phenyl(tributylstannyl)methyl]cyclopentyl] 2,2,4,4-tetramethyl-1,3-oxazolidine-3-carboxylate?
The IUPAC name of [(1R,2R)-2-[(R)-phenyl(tributylstannyl)methyl]cyclopentyl] 2,2,4,4-tetramethyl-1,3-oxazolidine-3-carboxylate (CID 134997446) is [(1R,2R)-2-[(R)-phenyl(tributylstannyl)methyl]cyclopentyl] 2,2,4,4-tetramethyl-1,3-oxazolidine-3-carboxylate.
What is the SMILES notation for [(1R,2R)-2-[(R)-phenyl(tributylstannyl)methyl]cyclopentyl] 2,2,4,4-tetramethyl-1,3-oxazolidine-3-carboxylate?
The canonical SMILES for [(1R,2R)-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]1CCC[C@H]1OC(=O)N1C(C)(C)COC1(C)C.
What is the InChIKey of [(1R,2R)-2-[(R)-phenyl(tributylstannyl)methyl]cyclopentyl] 2,2,4,4-tetramethyl-1,3-oxazolidine-3-carboxylate?
The InChIKey is DKUMOPKHRFWFEF-OKRZSZEPSA-N. The full InChI is InChI=1S/C20H28NO3.3C4H9.Sn/c1-19(2)14-23-20(3,4)21(19)18(22)24-17-12-8-11-16(17)13-15-9-6-5-7-10-15;3*1-3-4-2;/h5-7,9-10,13,16-17H,8,11-12,14H2,1-4H3;3*1,3-4H2,2H3;/t16-,17+;;;;/m0..../s1.
What are the key properties of [(1R,2R)-2-[(R)-phenyl(tributylstannyl)methyl]cyclopentyl] 2,2,4,4-tetramethyl-1,3-oxazolidine-3-carboxylate?
[(1R,2R)-2-[(R)-phenyl(tributylstannyl)methyl]cyclopentyl] 2,2,4,4-tetramethyl-1,3-oxazolidine-3-carboxylate has a molecular weight of 620.51 g/mol, XLogP of 9.31, 13 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [(1R,2R)-2-[(R)-phenyl(tributylstannyl)methyl]cyclopentyl] 2,2,4,4-tetramethyl-1,3-oxazolidine-3-carboxylate is sourced from PubChem (CID 134997446), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).