2,2-bis[2-(2,6-diethyl-2,3,6-trimethylpiperidin-1-yl)ethyl]decanedioate

C38H70N2O4-2 — CID 22754552

IUPAC2,2-bis[2-(2,6-diethyl-2,3,6-trimethylpiperidin-1-yl)ethyl]decanedioate
SMILESCCC1(C)CCC(C)C(C)(CC)N1CCC(CCCCCCCC(=O)[O-])(CCN1C(C)(CC)CCC(C)C1(C)CC)C(=O)[O-]
InChIInChI=1S/C38H72N2O4/c1-11-34(7)24-21-30(5)36(9,13-3)39(34)28-26-38(33(43)44,23-19-17-15-16-18-20-32(41)42)27-29-40-35(8,12-2)25-22-31(6)37(40,10)14-4/h30-31H,11-29H2,1-10H3,(H,41,42)(H,43,44)/p-2
InChIKeyHKURNZHHQVPYBF-UHFFFAOYSA-L
MW618.99 g/mol
LogP7.12
Rot. Bonds19

About 2,2-bis[2-(2,6-diethyl-2,3,6-trimethylpiperidin-1-yl)ethyl]decanedioate

2,2-bis[2-(2,6-diethyl-2,3,6-trimethylpiperidin-1-yl)ethyl]decanedioate (PubChem CID 22754552) has the molecular formula C38H70N2O4-2 and a molecular weight of 618.99 g/mol. Its IUPAC name is 2,2-bis[2-(2,6-diethyl-2,3,6-trimethylpiperidin-1-yl)ethyl]decanedioate.

Molecular Properties

Compound Name2,2-bis[2-(2,6-diethyl-2,3,6-trimethylpiperidin-1-yl)ethyl]decanedioate
PubChem CID22754552
Molecular FormulaC38H70N2O4-2
Molecular Weight618.99 g/mol
Exact Mass618.53
IUPAC Name2,2-bis[2-(2,6-diethyl-2,3,6-trimethylpiperidin-1-yl)ethyl]decanedioate
SMILESCCC1(C)CCC(C)C(C)(CC)N1CCC(CCCCCCCC(=O)[O-])(CCN1C(C)(CC)CCC(C)C1(C)CC)C(=O)[O-]
InChIInChI=1S/C38H72N2O4/c1-11-34(7)24-21-30(5)36(9,13-3)39(34)28-26-38(33(43)44,23-19-17-15-16-18-20-32(41)42)27-29-40-35(8,12-2)25-22-31(6)37(40,10)14-4/h30-31H,11-29H2,1-10H3,(H,41,42)(H,43,44)/p-2
InChIKeyHKURNZHHQVPYBF-UHFFFAOYSA-L
XLogP7.12
TPSA86.74 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds19
Heavy Atoms44
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500618.99
LogP ≤ 57.12
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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 2,2-bis[2-(2,6-diethyl-2,3,6-trimethylpiperidin-1-yl)ethyl]decanedioate?
The IUPAC name of 2,2-bis[2-(2,6-diethyl-2,3,6-trimethylpiperidin-1-yl)ethyl]decanedioate (CID 22754552) is 2,2-bis[2-(2,6-diethyl-2,3,6-trimethylpiperidin-1-yl)ethyl]decanedioate.
What is the SMILES notation for 2,2-bis[2-(2,6-diethyl-2,3,6-trimethylpiperidin-1-yl)ethyl]decanedioate?
The canonical SMILES for 2,2-bis[2-(2,6-diethyl-2,3,6-trimethylpiperidin-1-yl)ethyl]decanedioate is CCC1(C)CCC(C)C(C)(CC)N1CCC(CCCCCCCC(=O)[O-])(CCN1C(C)(CC)CCC(C)C1(C)CC)C(=O)[O-].
What is the InChIKey of 2,2-bis[2-(2,6-diethyl-2,3,6-trimethylpiperidin-1-yl)ethyl]decanedioate?
The InChIKey is HKURNZHHQVPYBF-UHFFFAOYSA-L. The full InChI is InChI=1S/C38H72N2O4/c1-11-34(7)24-21-30(5)36(9,13-3)39(34)28-26-38(33(43)44,23-19-17-15-16-18-20-32(41)42)27-29-40-35(8,12-2)25-22-31(6)37(40,10)14-4/h30-31H,11-29H2,1-10H3,(H,41,42)(H,43,44)/p-2.
What are the key properties of 2,2-bis[2-(2,6-diethyl-2,3,6-trimethylpiperidin-1-yl)ethyl]decanedioate?
2,2-bis[2-(2,6-diethyl-2,3,6-trimethylpiperidin-1-yl)ethyl]decanedioate has a molecular weight of 618.99 g/mol, XLogP of 7.12, 19 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2,2-bis[2-(2,6-diethyl-2,3,6-trimethylpiperidin-1-yl)ethyl]decanedioate is sourced from PubChem (CID 22754552), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).