bis(2,2,6,6-tetramethylpiperidin-4-yl) decanedioate;ethyl 3-(3,5-ditert-butyl-4-methylphenyl)propanoate

C48H84N2O6 — CID 91497888

IUPACbis(2,2,6,6-tetramethylpiperidin-4-yl) decanedioate;ethyl 3-(3,5-ditert-butyl-4-methylphenyl)propanoate
SMILESCC1(C)CC(OC(=O)CCCCCCCCC(=O)OC2CC(C)(C)NC(C)(C)C2)CC(C)(C)N1.CCOC(=O)CCc1cc(C(C)(C)C)c(C)c(C(C)(C)C)c1
InChIInChI=1S/C28H52N2O4.C20H32O2/c1-25(2)17-21(18-26(3,4)29-25)33-23(31)15-13-11-9-10-12-14-16-24(32)34-22-19-27(5,6)30-28(7,8)20-22;1-9-22-18(21)11-10-15-12-16(19(3,4)5)14(2)17(13-15)20(6,7)8/h21-22,29-30H,9-20H2,1-8H3;12-13H,9-11H2,1-8H3
InChIKeyGOCFEMSZVSPXSP-UHFFFAOYSA-N
MW785.21 g/mol
LogP10.90
Rot. Bonds15

About bis(2,2,6,6-tetramethylpiperidin-4-yl) decanedioate;ethyl 3-(3,5-ditert-butyl-4-methylphenyl)propanoate

bis(2,2,6,6-tetramethylpiperidin-4-yl) decanedioate;ethyl 3-(3,5-ditert-butyl-4-methylphenyl)propanoate (PubChem CID 91497888) has the molecular formula C48H84N2O6 and a molecular weight of 785.21 g/mol. Its IUPAC name is bis(2,2,6,6-tetramethylpiperidin-4-yl) decanedioate;ethyl 3-(3,5-ditert-butyl-4-methylphenyl)propanoate.

Molecular Properties

Compound Namebis(2,2,6,6-tetramethylpiperidin-4-yl) decanedioate;ethyl 3-(3,5-ditert-butyl-4-methylphenyl)propanoate
PubChem CID91497888
Molecular FormulaC48H84N2O6
Molecular Weight785.21 g/mol
Exact Mass784.63
IUPAC Namebis(2,2,6,6-tetramethylpiperidin-4-yl) decanedioate;ethyl 3-(3,5-ditert-butyl-4-methylphenyl)propanoate
SMILESCC1(C)CC(OC(=O)CCCCCCCCC(=O)OC2CC(C)(C)NC(C)(C)C2)CC(C)(C)N1.CCOC(=O)CCc1cc(C(C)(C)C)c(C)c(C(C)(C)C)c1
InChIInChI=1S/C28H52N2O4.C20H32O2/c1-25(2)17-21(18-26(3,4)29-25)33-23(31)15-13-11-9-10-12-14-16-24(32)34-22-19-27(5,6)30-28(7,8)20-22;1-9-22-18(21)11-10-15-12-16(19(3,4)5)14(2)17(13-15)20(6,7)8/h21-22,29-30H,9-20H2,1-8H3;12-13H,9-11H2,1-8H3
InChIKeyGOCFEMSZVSPXSP-UHFFFAOYSA-N
XLogP10.90
TPSA102.96 Ų
H-Bond Donors2
H-Bond Acceptors8
Rotatable Bonds15
Heavy Atoms56
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500785.21
LogP ≤ 510.90
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 108

Computed Properties (RDKit)

Structural Alerts{'alert_name': '>_2_ester_groups', 'substructure': 'N/A'}, {'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of bis(2,2,6,6-tetramethylpiperidin-4-yl) decanedioate;ethyl 3-(3,5-ditert-butyl-4-methylphenyl)propanoate?
The IUPAC name of bis(2,2,6,6-tetramethylpiperidin-4-yl) decanedioate;ethyl 3-(3,5-ditert-butyl-4-methylphenyl)propanoate (CID 91497888) is bis(2,2,6,6-tetramethylpiperidin-4-yl) decanedioate;ethyl 3-(3,5-ditert-butyl-4-methylphenyl)propanoate.
What is the SMILES notation for bis(2,2,6,6-tetramethylpiperidin-4-yl) decanedioate;ethyl 3-(3,5-ditert-butyl-4-methylphenyl)propanoate?
The canonical SMILES for bis(2,2,6,6-tetramethylpiperidin-4-yl) decanedioate;ethyl 3-(3,5-ditert-butyl-4-methylphenyl)propanoate is CC1(C)CC(OC(=O)CCCCCCCCC(=O)OC2CC(C)(C)NC(C)(C)C2)CC(C)(C)N1.CCOC(=O)CCc1cc(C(C)(C)C)c(C)c(C(C)(C)C)c1.
What is the InChIKey of bis(2,2,6,6-tetramethylpiperidin-4-yl) decanedioate;ethyl 3-(3,5-ditert-butyl-4-methylphenyl)propanoate?
The InChIKey is GOCFEMSZVSPXSP-UHFFFAOYSA-N. The full InChI is InChI=1S/C28H52N2O4.C20H32O2/c1-25(2)17-21(18-26(3,4)29-25)33-23(31)15-13-11-9-10-12-14-16-24(32)34-22-19-27(5,6)30-28(7,8)20-22;1-9-22-18(21)11-10-15-12-16(19(3,4)5)14(2)17(13-15)20(6,7)8/h21-22,29-30H,9-20H2,1-8H3;12-13H,9-11H2,1-8H3.
What are the key properties of bis(2,2,6,6-tetramethylpiperidin-4-yl) decanedioate;ethyl 3-(3,5-ditert-butyl-4-methylphenyl)propanoate?
bis(2,2,6,6-tetramethylpiperidin-4-yl) decanedioate;ethyl 3-(3,5-ditert-butyl-4-methylphenyl)propanoate has a molecular weight of 785.21 g/mol, XLogP of 10.90, 15 rotatable bonds, 2 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for bis(2,2,6,6-tetramethylpiperidin-4-yl) decanedioate;ethyl 3-(3,5-ditert-butyl-4-methylphenyl)propanoate is sourced from PubChem (CID 91497888), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).