bis(1-methoxy-2,2,6,6-tetramethylpiperidin-4-yl) decanedioate

C30H56N2O6 — CID 18716454

IUPACbis(1-methoxy-2,2,6,6-tetramethylpiperidin-4-yl) decanedioate
SMILESCON1C(C)(C)CC(OC(=O)CCCCCCCCC(=O)OC2CC(C)(C)N(OC)C(C)(C)C2)CC1(C)C
InChIInChI=1S/C30H56N2O6/c1-27(2)19-23(20-28(3,4)31(27)35-9)37-25(33)17-15-13-11-12-14-16-18-26(34)38-24-21-29(5,6)32(36-10)30(7,8)22-24/h23-24H,11-22H2,1-10H3
InChIKeyXGJSMYFOSRLZNF-UHFFFAOYSA-N
MW540.79 g/mol
LogP6.36
Rot. Bonds13

About bis(1-methoxy-2,2,6,6-tetramethylpiperidin-4-yl) decanedioate

bis(1-methoxy-2,2,6,6-tetramethylpiperidin-4-yl) decanedioate (PubChem CID 18716454) has the molecular formula C30H56N2O6 and a molecular weight of 540.79 g/mol. Its IUPAC name is bis(1-methoxy-2,2,6,6-tetramethylpiperidin-4-yl) decanedioate.

Molecular Properties

Compound Namebis(1-methoxy-2,2,6,6-tetramethylpiperidin-4-yl) decanedioate
PubChem CID18716454
Molecular FormulaC30H56N2O6
Molecular Weight540.79 g/mol
Exact Mass540.41
IUPAC Namebis(1-methoxy-2,2,6,6-tetramethylpiperidin-4-yl) decanedioate
SMILESCON1C(C)(C)CC(OC(=O)CCCCCCCCC(=O)OC2CC(C)(C)N(OC)C(C)(C)C2)CC1(C)C
InChIInChI=1S/C30H56N2O6/c1-27(2)19-23(20-28(3,4)31(27)35-9)37-25(33)17-15-13-11-12-14-16-18-26(34)38-24-21-29(5,6)32(36-10)30(7,8)22-24/h23-24H,11-22H2,1-10H3
InChIKeyXGJSMYFOSRLZNF-UHFFFAOYSA-N
XLogP6.36
TPSA77.54 Ų
H-Bond Donors
H-Bond Acceptors8
Rotatable Bonds13
Heavy Atoms38
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500540.79
LogP ≤ 56.36
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 108

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 bis(1-methoxy-2,2,6,6-tetramethylpiperidin-4-yl) decanedioate?
The IUPAC name of bis(1-methoxy-2,2,6,6-tetramethylpiperidin-4-yl) decanedioate (CID 18716454) is bis(1-methoxy-2,2,6,6-tetramethylpiperidin-4-yl) decanedioate.
What is the SMILES notation for bis(1-methoxy-2,2,6,6-tetramethylpiperidin-4-yl) decanedioate?
The canonical SMILES for bis(1-methoxy-2,2,6,6-tetramethylpiperidin-4-yl) decanedioate is CON1C(C)(C)CC(OC(=O)CCCCCCCCC(=O)OC2CC(C)(C)N(OC)C(C)(C)C2)CC1(C)C.
What is the InChIKey of bis(1-methoxy-2,2,6,6-tetramethylpiperidin-4-yl) decanedioate?
The InChIKey is XGJSMYFOSRLZNF-UHFFFAOYSA-N. The full InChI is InChI=1S/C30H56N2O6/c1-27(2)19-23(20-28(3,4)31(27)35-9)37-25(33)17-15-13-11-12-14-16-18-26(34)38-24-21-29(5,6)32(36-10)30(7,8)22-24/h23-24H,11-22H2,1-10H3.
What are the key properties of bis(1-methoxy-2,2,6,6-tetramethylpiperidin-4-yl) decanedioate?
bis(1-methoxy-2,2,6,6-tetramethylpiperidin-4-yl) decanedioate has a molecular weight of 540.79 g/mol, XLogP of 6.36, 13 rotatable bonds, 0 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for bis(1-methoxy-2,2,6,6-tetramethylpiperidin-4-yl) decanedioate is sourced from PubChem (CID 18716454), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).