10-O-(1-ethyl-2,2,6,6-tetramethylpiperidin-4-yl) 1-O-methyl decanedioate

C22H41NO4 — CID 163756463

IUPAC10-O-(1-ethyl-2,2,6,6-tetramethylpiperidin-4-yl) 1-O-methyl decanedioate
SMILESCCN1C(C)(C)CC(OC(=O)CCCCCCCCC(=O)OC)CC1(C)C
InChIInChI=1S/C22H41NO4/c1-7-23-21(2,3)16-18(17-22(23,4)5)27-20(25)15-13-11-9-8-10-12-14-19(24)26-6/h18H,7-17H2,1-6H3
InChIKeyDGENSKHINRWCTR-UHFFFAOYSA-N
MW383.57 g/mol
LogP4.86
Rot. Bonds11

About 10-O-(1-ethyl-2,2,6,6-tetramethylpiperidin-4-yl) 1-O-methyl decanedioate

10-O-(1-ethyl-2,2,6,6-tetramethylpiperidin-4-yl) 1-O-methyl decanedioate (PubChem CID 163756463) has the molecular formula C22H41NO4 and a molecular weight of 383.57 g/mol. Its IUPAC name is 10-O-(1-ethyl-2,2,6,6-tetramethylpiperidin-4-yl) 1-O-methyl decanedioate.

Molecular Properties

Compound Name10-O-(1-ethyl-2,2,6,6-tetramethylpiperidin-4-yl) 1-O-methyl decanedioate
PubChem CID163756463
Molecular FormulaC22H41NO4
Molecular Weight383.57 g/mol
Exact Mass383.30
IUPAC Name10-O-(1-ethyl-2,2,6,6-tetramethylpiperidin-4-yl) 1-O-methyl decanedioate
SMILESCCN1C(C)(C)CC(OC(=O)CCCCCCCCC(=O)OC)CC1(C)C
InChIInChI=1S/C22H41NO4/c1-7-23-21(2,3)16-18(17-22(23,4)5)27-20(25)15-13-11-9-8-10-12-14-19(24)26-6/h18H,7-17H2,1-6H3
InChIKeyDGENSKHINRWCTR-UHFFFAOYSA-N
XLogP4.86
TPSA55.84 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds11
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500383.57
LogP ≤ 54.86
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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 10-O-(1-ethyl-2,2,6,6-tetramethylpiperidin-4-yl) 1-O-methyl decanedioate?
The IUPAC name of 10-O-(1-ethyl-2,2,6,6-tetramethylpiperidin-4-yl) 1-O-methyl decanedioate (CID 163756463) is 10-O-(1-ethyl-2,2,6,6-tetramethylpiperidin-4-yl) 1-O-methyl decanedioate.
What is the SMILES notation for 10-O-(1-ethyl-2,2,6,6-tetramethylpiperidin-4-yl) 1-O-methyl decanedioate?
The canonical SMILES for 10-O-(1-ethyl-2,2,6,6-tetramethylpiperidin-4-yl) 1-O-methyl decanedioate is CCN1C(C)(C)CC(OC(=O)CCCCCCCCC(=O)OC)CC1(C)C.
What is the InChIKey of 10-O-(1-ethyl-2,2,6,6-tetramethylpiperidin-4-yl) 1-O-methyl decanedioate?
The InChIKey is DGENSKHINRWCTR-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H41NO4/c1-7-23-21(2,3)16-18(17-22(23,4)5)27-20(25)15-13-11-9-8-10-12-14-19(24)26-6/h18H,7-17H2,1-6H3.
What are the key properties of 10-O-(1-ethyl-2,2,6,6-tetramethylpiperidin-4-yl) 1-O-methyl decanedioate?
10-O-(1-ethyl-2,2,6,6-tetramethylpiperidin-4-yl) 1-O-methyl decanedioate has a molecular weight of 383.57 g/mol, XLogP of 4.86, 11 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 10-O-(1-ethyl-2,2,6,6-tetramethylpiperidin-4-yl) 1-O-methyl decanedioate is sourced from PubChem (CID 163756463), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).