[(E)-3,3-dimethyl-6-phenylhex-5-enyl] 2,2,4,4-tetramethyl-1,3-oxazolidine-3-carboxylate

C22H33NO3 — CID 10872085

IUPAC[(E)-3,3-dimethyl-6-phenylhex-5-enyl] 2,2,4,4-tetramethyl-1,3-oxazolidine-3-carboxylate
SMILESCC(C)(C/C=C/c1ccccc1)CCOC(=O)N1C(C)(C)COC1(C)C
InChIInChI=1S/C22H33NO3/c1-20(2,14-10-13-18-11-8-7-9-12-18)15-16-25-19(24)23-21(3,4)17-26-22(23,5)6/h7-13H,14-17H2,1-6H3/b13-10+
InChIKeyOIZDZVLXTRXHKM-JLHYYAGUSA-N
MW359.51 g/mol
LogP5.49
Rot. Bonds6

About [(E)-3,3-dimethyl-6-phenylhex-5-enyl] 2,2,4,4-tetramethyl-1,3-oxazolidine-3-carboxylate

[(E)-3,3-dimethyl-6-phenylhex-5-enyl] 2,2,4,4-tetramethyl-1,3-oxazolidine-3-carboxylate (PubChem CID 10872085) has the molecular formula C22H33NO3 and a molecular weight of 359.51 g/mol. Its IUPAC name is [(E)-3,3-dimethyl-6-phenylhex-5-enyl] 2,2,4,4-tetramethyl-1,3-oxazolidine-3-carboxylate.

Molecular Properties

Compound Name[(E)-3,3-dimethyl-6-phenylhex-5-enyl] 2,2,4,4-tetramethyl-1,3-oxazolidine-3-carboxylate
PubChem CID10872085
Molecular FormulaC22H33NO3
Molecular Weight359.51 g/mol
Exact Mass359.25
IUPAC Name[(E)-3,3-dimethyl-6-phenylhex-5-enyl] 2,2,4,4-tetramethyl-1,3-oxazolidine-3-carboxylate
SMILESCC(C)(C/C=C/c1ccccc1)CCOC(=O)N1C(C)(C)COC1(C)C
InChIInChI=1S/C22H33NO3/c1-20(2,14-10-13-18-11-8-7-9-12-18)15-16-25-19(24)23-21(3,4)17-26-22(23,5)6/h7-13H,14-17H2,1-6H3/b13-10+
InChIKeyOIZDZVLXTRXHKM-JLHYYAGUSA-N
XLogP5.49
TPSA38.77 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500359.51
LogP ≤ 55.49
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of [(E)-3,3-dimethyl-6-phenylhex-5-enyl] 2,2,4,4-tetramethyl-1,3-oxazolidine-3-carboxylate?
The IUPAC name of [(E)-3,3-dimethyl-6-phenylhex-5-enyl] 2,2,4,4-tetramethyl-1,3-oxazolidine-3-carboxylate (CID 10872085) is [(E)-3,3-dimethyl-6-phenylhex-5-enyl] 2,2,4,4-tetramethyl-1,3-oxazolidine-3-carboxylate.
What is the SMILES notation for [(E)-3,3-dimethyl-6-phenylhex-5-enyl] 2,2,4,4-tetramethyl-1,3-oxazolidine-3-carboxylate?
The canonical SMILES for [(E)-3,3-dimethyl-6-phenylhex-5-enyl] 2,2,4,4-tetramethyl-1,3-oxazolidine-3-carboxylate is CC(C)(C/C=C/c1ccccc1)CCOC(=O)N1C(C)(C)COC1(C)C.
What is the InChIKey of [(E)-3,3-dimethyl-6-phenylhex-5-enyl] 2,2,4,4-tetramethyl-1,3-oxazolidine-3-carboxylate?
The InChIKey is OIZDZVLXTRXHKM-JLHYYAGUSA-N. The full InChI is InChI=1S/C22H33NO3/c1-20(2,14-10-13-18-11-8-7-9-12-18)15-16-25-19(24)23-21(3,4)17-26-22(23,5)6/h7-13H,14-17H2,1-6H3/b13-10+.
What are the key properties of [(E)-3,3-dimethyl-6-phenylhex-5-enyl] 2,2,4,4-tetramethyl-1,3-oxazolidine-3-carboxylate?
[(E)-3,3-dimethyl-6-phenylhex-5-enyl] 2,2,4,4-tetramethyl-1,3-oxazolidine-3-carboxylate has a molecular weight of 359.51 g/mol, XLogP of 5.49, 6 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [(E)-3,3-dimethyl-6-phenylhex-5-enyl] 2,2,4,4-tetramethyl-1,3-oxazolidine-3-carboxylate is sourced from PubChem (CID 10872085), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).