cyclohexyl 2-[3-(2,2,6,6-tetramethylpiperidin-4-yl)oxypropyl]hexanoate

C24H45NO3 — CID 70587590

IUPACcyclohexyl 2-[3-(2,2,6,6-tetramethylpiperidin-4-yl)oxypropyl]hexanoate
SMILESCCCCC(CCCOC1CC(C)(C)NC(C)(C)C1)C(=O)OC1CCCCC1
InChIInChI=1S/C24H45NO3/c1-6-7-12-19(22(26)28-20-14-9-8-10-15-20)13-11-16-27-21-17-23(2,3)25-24(4,5)18-21/h19-21,25H,6-18H2,1-5H3
InChIKeySBTIJLIXQNJFAB-UHFFFAOYSA-N
MW395.63 g/mol
LogP5.77
Rot. Bonds10

About cyclohexyl 2-[3-(2,2,6,6-tetramethylpiperidin-4-yl)oxypropyl]hexanoate

cyclohexyl 2-[3-(2,2,6,6-tetramethylpiperidin-4-yl)oxypropyl]hexanoate (PubChem CID 70587590) has the molecular formula C24H45NO3 and a molecular weight of 395.63 g/mol. Its IUPAC name is cyclohexyl 2-[3-(2,2,6,6-tetramethylpiperidin-4-yl)oxypropyl]hexanoate.

Molecular Properties

Compound Namecyclohexyl 2-[3-(2,2,6,6-tetramethylpiperidin-4-yl)oxypropyl]hexanoate
PubChem CID70587590
Molecular FormulaC24H45NO3
Molecular Weight395.63 g/mol
Exact Mass395.34
IUPAC Namecyclohexyl 2-[3-(2,2,6,6-tetramethylpiperidin-4-yl)oxypropyl]hexanoate
SMILESCCCCC(CCCOC1CC(C)(C)NC(C)(C)C1)C(=O)OC1CCCCC1
InChIInChI=1S/C24H45NO3/c1-6-7-12-19(22(26)28-20-14-9-8-10-15-20)13-11-16-27-21-17-23(2,3)25-24(4,5)18-21/h19-21,25H,6-18H2,1-5H3
InChIKeySBTIJLIXQNJFAB-UHFFFAOYSA-N
XLogP5.77
TPSA47.56 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds10
Heavy Atoms28
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500395.63
LogP ≤ 55.77
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

3-cyclohexyloxycarbonylheptanoic acid
CID 175582119
4-decoxy-2,2,6,6-tetramethylpiperidine
CID 141105994
cyclopropyl 2-hexyldecanoate
CID 174570245
1-cycloheptyloxy-3-ethylheptan-2-one
CID 134575358
(1,2,2,6,6-pentamethylpiperidin-4-yl) 2-ethyl-10-(1,2,2,6,6-pentamethylpiperidin-4-yl)oxydecanoate
CID 166830264
12-(2,2,6,6-tetramethylpiperidin-4-yl)oxydodecan-1-ol
CID 175888829
[1-(2,2,6,6-tetramethylpiperidin-4-yl)oxy-9-(2,2,6,6-tetramethylpiperidin-4-yl)oxycarbonylundecylidene]oxidanium
CID 153184887
2-O,3-O,4-O-tris(2,2,6,6-tetramethylpiperidin-4-yl) 1-O-tridecyl butane-1,2,3,4-tetracarboxylate
CID 6365990
CID 22982953
CID 22982953
cyclohexyl 2-(aminomethyl)butanoate
CID 65220233
cyclohexyl carbonate;tetrabutylphosphanium
CID 66627330
(1-cyclohexyloxy-1-oxododecan-2-yl)-trimethylazanium bromide
CID 51059954

Frequently Asked Questions

What is the IUPAC name of cyclohexyl 2-[3-(2,2,6,6-tetramethylpiperidin-4-yl)oxypropyl]hexanoate?
The IUPAC name of cyclohexyl 2-[3-(2,2,6,6-tetramethylpiperidin-4-yl)oxypropyl]hexanoate (CID 70587590) is cyclohexyl 2-[3-(2,2,6,6-tetramethylpiperidin-4-yl)oxypropyl]hexanoate.
What is the SMILES notation for cyclohexyl 2-[3-(2,2,6,6-tetramethylpiperidin-4-yl)oxypropyl]hexanoate?
The canonical SMILES for cyclohexyl 2-[3-(2,2,6,6-tetramethylpiperidin-4-yl)oxypropyl]hexanoate is CCCCC(CCCOC1CC(C)(C)NC(C)(C)C1)C(=O)OC1CCCCC1.
What is the InChIKey of cyclohexyl 2-[3-(2,2,6,6-tetramethylpiperidin-4-yl)oxypropyl]hexanoate?
The InChIKey is SBTIJLIXQNJFAB-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H45NO3/c1-6-7-12-19(22(26)28-20-14-9-8-10-15-20)13-11-16-27-21-17-23(2,3)25-24(4,5)18-21/h19-21,25H,6-18H2,1-5H3.
What are the key properties of cyclohexyl 2-[3-(2,2,6,6-tetramethylpiperidin-4-yl)oxypropyl]hexanoate?
cyclohexyl 2-[3-(2,2,6,6-tetramethylpiperidin-4-yl)oxypropyl]hexanoate has a molecular weight of 395.63 g/mol, XLogP of 5.77, 10 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for cyclohexyl 2-[3-(2,2,6,6-tetramethylpiperidin-4-yl)oxypropyl]hexanoate is sourced from PubChem (CID 70587590), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).