3-[(1R)-1-methylinden-1-yl]propyl 2,2,4,4-tetramethyl-1,3-oxazolidine-3-carboxylate

C21H29NO3 — CID 135055925

IUPAC3-[(1R)-1-methylinden-1-yl]propyl 2,2,4,4-tetramethyl-1,3-oxazolidine-3-carboxylate
SMILESCC1(C)COC(C)(C)N1C(=O)OCCC[C@]1(C)C=Cc2ccccc21
InChIInChI=1S/C21H29NO3/c1-19(2)15-25-20(3,4)22(19)18(23)24-14-8-12-21(5)13-11-16-9-6-7-10-17(16)21/h6-7,9-11,13H,8,12,14-15H2,1-5H3/t21-/m1/s1
InChIKeyJIBJFBANEAERMI-OAQYLSRUSA-N
MW343.47 g/mol
LogP4.73
Rot. Bonds4

About 3-[(1R)-1-methylinden-1-yl]propyl 2,2,4,4-tetramethyl-1,3-oxazolidine-3-carboxylate

3-[(1R)-1-methylinden-1-yl]propyl 2,2,4,4-tetramethyl-1,3-oxazolidine-3-carboxylate (PubChem CID 135055925) has the molecular formula C21H29NO3 and a molecular weight of 343.47 g/mol. Its IUPAC name is 3-[(1R)-1-methylinden-1-yl]propyl 2,2,4,4-tetramethyl-1,3-oxazolidine-3-carboxylate.

Molecular Properties

Compound Name3-[(1R)-1-methylinden-1-yl]propyl 2,2,4,4-tetramethyl-1,3-oxazolidine-3-carboxylate
PubChem CID135055925
Molecular FormulaC21H29NO3
Molecular Weight343.47 g/mol
Exact Mass343.21
IUPAC Name3-[(1R)-1-methylinden-1-yl]propyl 2,2,4,4-tetramethyl-1,3-oxazolidine-3-carboxylate
SMILESCC1(C)COC(C)(C)N1C(=O)OCCC[C@]1(C)C=Cc2ccccc21
InChIInChI=1S/C21H29NO3/c1-19(2)15-25-20(3,4)22(19)18(23)24-14-8-12-21(5)13-11-16-9-6-7-10-17(16)21/h6-7,9-11,13H,8,12,14-15H2,1-5H3/t21-/m1/s1
InChIKeyJIBJFBANEAERMI-OAQYLSRUSA-N
XLogP4.73
TPSA38.77 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500343.47
LogP ≤ 54.73
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 3-[(1R)-1-methylinden-1-yl]propyl 2,2,4,4-tetramethyl-1,3-oxazolidine-3-carboxylate?
The IUPAC name of 3-[(1R)-1-methylinden-1-yl]propyl 2,2,4,4-tetramethyl-1,3-oxazolidine-3-carboxylate (CID 135055925) is 3-[(1R)-1-methylinden-1-yl]propyl 2,2,4,4-tetramethyl-1,3-oxazolidine-3-carboxylate.
What is the SMILES notation for 3-[(1R)-1-methylinden-1-yl]propyl 2,2,4,4-tetramethyl-1,3-oxazolidine-3-carboxylate?
The canonical SMILES for 3-[(1R)-1-methylinden-1-yl]propyl 2,2,4,4-tetramethyl-1,3-oxazolidine-3-carboxylate is CC1(C)COC(C)(C)N1C(=O)OCCC[C@]1(C)C=Cc2ccccc21.
What is the InChIKey of 3-[(1R)-1-methylinden-1-yl]propyl 2,2,4,4-tetramethyl-1,3-oxazolidine-3-carboxylate?
The InChIKey is JIBJFBANEAERMI-OAQYLSRUSA-N. The full InChI is InChI=1S/C21H29NO3/c1-19(2)15-25-20(3,4)22(19)18(23)24-14-8-12-21(5)13-11-16-9-6-7-10-17(16)21/h6-7,9-11,13H,8,12,14-15H2,1-5H3/t21-/m1/s1.
What are the key properties of 3-[(1R)-1-methylinden-1-yl]propyl 2,2,4,4-tetramethyl-1,3-oxazolidine-3-carboxylate?
3-[(1R)-1-methylinden-1-yl]propyl 2,2,4,4-tetramethyl-1,3-oxazolidine-3-carboxylate has a molecular weight of 343.47 g/mol, XLogP of 4.73, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(1R)-1-methylinden-1-yl]propyl 2,2,4,4-tetramethyl-1,3-oxazolidine-3-carboxylate is sourced from PubChem (CID 135055925), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).