6-(1-hydroxy-2,2,5,5-tetramethylpyrrolidine-3-carbonyl)oxyoctyl 1-hydroxy-2,2,5,5-tetramethylpyrrolidine-3-carboxylate

C26H48N2O6 — CID 140895409

IUPAC6-(1-hydroxy-2,2,5,5-tetramethylpyrrolidine-3-carbonyl)oxyoctyl 1-hydroxy-2,2,5,5-tetramethylpyrrolidine-3-carboxylate
SMILESCCC(CCCCCOC(=O)C1CC(C)(C)N(O)C1(C)C)OC(=O)C1CC(C)(C)N(O)C1(C)C
InChIInChI=1S/C26H48N2O6/c1-10-18(34-22(30)20-17-24(4,5)28(32)26(20,8)9)14-12-11-13-15-33-21(29)19-16-23(2,3)27(31)25(19,6)7/h18-20,31-32H,10-17H2,1-9H3
InChIKeyNNEWHCWOJAHVIB-UHFFFAOYSA-N
MW484.68 g/mol
LogP4.95
Rot. Bonds10

About 6-(1-hydroxy-2,2,5,5-tetramethylpyrrolidine-3-carbonyl)oxyoctyl 1-hydroxy-2,2,5,5-tetramethylpyrrolidine-3-carboxylate

6-(1-hydroxy-2,2,5,5-tetramethylpyrrolidine-3-carbonyl)oxyoctyl 1-hydroxy-2,2,5,5-tetramethylpyrrolidine-3-carboxylate (PubChem CID 140895409) has the molecular formula C26H48N2O6 and a molecular weight of 484.68 g/mol. Its IUPAC name is 6-(1-hydroxy-2,2,5,5-tetramethylpyrrolidine-3-carbonyl)oxyoctyl 1-hydroxy-2,2,5,5-tetramethylpyrrolidine-3-carboxylate.

Molecular Properties

Compound Name6-(1-hydroxy-2,2,5,5-tetramethylpyrrolidine-3-carbonyl)oxyoctyl 1-hydroxy-2,2,5,5-tetramethylpyrrolidine-3-carboxylate
PubChem CID140895409
Molecular FormulaC26H48N2O6
Molecular Weight484.68 g/mol
Exact Mass484.35
IUPAC Name6-(1-hydroxy-2,2,5,5-tetramethylpyrrolidine-3-carbonyl)oxyoctyl 1-hydroxy-2,2,5,5-tetramethylpyrrolidine-3-carboxylate
SMILESCCC(CCCCCOC(=O)C1CC(C)(C)N(O)C1(C)C)OC(=O)C1CC(C)(C)N(O)C1(C)C
InChIInChI=1S/C26H48N2O6/c1-10-18(34-22(30)20-17-24(4,5)28(32)26(20,8)9)14-12-11-13-15-33-21(29)19-16-23(2,3)27(31)25(19,6)7/h18-20,31-32H,10-17H2,1-9H3
InChIKeyNNEWHCWOJAHVIB-UHFFFAOYSA-N
XLogP4.95
TPSA99.54 Ų
H-Bond Donors2
H-Bond Acceptors8
Rotatable Bonds10
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500484.68
LogP ≤ 54.95
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 108

Computed Properties (RDKit)

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

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Related Compounds

3-(1-hydroxy-2,2,5,5-tetramethylpyrrolidine-3-carbonyl)oxypentyl 1-hydroxy-2,2,5,5-tetramethylpyrrolidine-3-carboxylate
CID 140895387
7-(1-hydroxy-2,2,5,5-tetramethylpyrrolidine-3-carbonyl)oxyheptyl 1-hydroxy-2,2,5,5-tetramethylpyrrolidine-3-carboxylate
CID 140895397
3-(1,2,2,5,5-pentamethylpyrrolidine-3-carbonyl)oxypentyl 1,2,2,5,5-pentamethylpyrrolidine-3-carboxylate
CID 140895401
6-(2,2,5,5-tetramethylpyrrolidine-3-carbonyl)oxyoctyl 2,2,5,5-tetramethylpyrrolidine-3-carboxylate
CID 138723933
8-(1,2,2,5,5-pentamethylpyrrolidine-3-carbonyl)oxyoctyl 1,2,2,5,5-pentamethylpyrrolidine-3-carboxylate
CID 138724292
8-formyloxyoctyl 1-hydroxy-2,2,5,5-tetramethylpyrrolidine-3-carboxylate;2,2,3,5,5-pentamethylpyrrolidine
CID 145268523
6-carbamoyloxyoctyl carbamate
CID 54036926
12-carboxyoxydodecan-3-yl hydrogen carbonate
CID 87854832
(3S)-1-hydroxy-2,2,5,5-tetramethylpyrrolidine-3-carboxylic acid
CID 854503
tetradecan-3-yl cyclopropanecarboxylate
CID 549496
tridecan-3-yl cyclopropanecarboxylate
CID 549494
6-(2-sulfanylacetyl)oxyoctyl 2-sulfanylacetate
CID 139697671

Frequently Asked Questions

What is the IUPAC name of 6-(1-hydroxy-2,2,5,5-tetramethylpyrrolidine-3-carbonyl)oxyoctyl 1-hydroxy-2,2,5,5-tetramethylpyrrolidine-3-carboxylate?
The IUPAC name of 6-(1-hydroxy-2,2,5,5-tetramethylpyrrolidine-3-carbonyl)oxyoctyl 1-hydroxy-2,2,5,5-tetramethylpyrrolidine-3-carboxylate (CID 140895409) is 6-(1-hydroxy-2,2,5,5-tetramethylpyrrolidine-3-carbonyl)oxyoctyl 1-hydroxy-2,2,5,5-tetramethylpyrrolidine-3-carboxylate.
What is the SMILES notation for 6-(1-hydroxy-2,2,5,5-tetramethylpyrrolidine-3-carbonyl)oxyoctyl 1-hydroxy-2,2,5,5-tetramethylpyrrolidine-3-carboxylate?
The canonical SMILES for 6-(1-hydroxy-2,2,5,5-tetramethylpyrrolidine-3-carbonyl)oxyoctyl 1-hydroxy-2,2,5,5-tetramethylpyrrolidine-3-carboxylate is CCC(CCCCCOC(=O)C1CC(C)(C)N(O)C1(C)C)OC(=O)C1CC(C)(C)N(O)C1(C)C.
What is the InChIKey of 6-(1-hydroxy-2,2,5,5-tetramethylpyrrolidine-3-carbonyl)oxyoctyl 1-hydroxy-2,2,5,5-tetramethylpyrrolidine-3-carboxylate?
The InChIKey is NNEWHCWOJAHVIB-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H48N2O6/c1-10-18(34-22(30)20-17-24(4,5)28(32)26(20,8)9)14-12-11-13-15-33-21(29)19-16-23(2,3)27(31)25(19,6)7/h18-20,31-32H,10-17H2,1-9H3.
What are the key properties of 6-(1-hydroxy-2,2,5,5-tetramethylpyrrolidine-3-carbonyl)oxyoctyl 1-hydroxy-2,2,5,5-tetramethylpyrrolidine-3-carboxylate?
6-(1-hydroxy-2,2,5,5-tetramethylpyrrolidine-3-carbonyl)oxyoctyl 1-hydroxy-2,2,5,5-tetramethylpyrrolidine-3-carboxylate has a molecular weight of 484.68 g/mol, XLogP of 4.95, 10 rotatable bonds, 2 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(1-hydroxy-2,2,5,5-tetramethylpyrrolidine-3-carbonyl)oxyoctyl 1-hydroxy-2,2,5,5-tetramethylpyrrolidine-3-carboxylate is sourced from PubChem (CID 140895409), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).