(2,2,6,6-tetramethylpiperidin-4-yl) 2-hexyl-5-methylundec-3-enoate

C27H51NO2 — CID 71130144

IUPAC(2,2,6,6-tetramethylpiperidin-4-yl) 2-hexyl-5-methylundec-3-enoate
SMILESCCCCCCC(C)C=CC(CCCCCC)C(=O)OC1CC(C)(C)NC(C)(C)C1
InChIInChI=1S/C27H51NO2/c1-8-10-12-14-16-22(3)18-19-23(17-15-13-11-9-2)25(29)30-24-20-26(4,5)28-27(6,7)21-24/h18-19,22-24,28H,8-17,20-21H2,1-7H3
InChIKeyFGNBMYHVFFKXSD-UHFFFAOYSA-N
MW421.71 g/mol
LogP7.59
Rot. Bonds14

About (2,2,6,6-tetramethylpiperidin-4-yl) 2-hexyl-5-methylundec-3-enoate

(2,2,6,6-tetramethylpiperidin-4-yl) 2-hexyl-5-methylundec-3-enoate (PubChem CID 71130144) has the molecular formula C27H51NO2 and a molecular weight of 421.71 g/mol. Its IUPAC name is (2,2,6,6-tetramethylpiperidin-4-yl) 2-hexyl-5-methylundec-3-enoate.

Molecular Properties

Compound Name(2,2,6,6-tetramethylpiperidin-4-yl) 2-hexyl-5-methylundec-3-enoate
PubChem CID71130144
Molecular FormulaC27H51NO2
Molecular Weight421.71 g/mol
Exact Mass421.39
IUPAC Name(2,2,6,6-tetramethylpiperidin-4-yl) 2-hexyl-5-methylundec-3-enoate
SMILESCCCCCCC(C)C=CC(CCCCCC)C(=O)OC1CC(C)(C)NC(C)(C)C1
InChIInChI=1S/C27H51NO2/c1-8-10-12-14-16-22(3)18-19-23(17-15-13-11-9-2)25(29)30-24-20-26(4,5)28-27(6,7)21-24/h18-19,22-24,28H,8-17,20-21H2,1-7H3
InChIKeyFGNBMYHVFFKXSD-UHFFFAOYSA-N
XLogP7.59
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds14
Heavy Atoms30
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500421.71
LogP ≤ 57.59
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

1-O-(2,2,6,6-tetramethylpiperidin-4-yl) 3-O-(2,2,6-trimethylpiperidin-4-yl) 2-heptylpropanedioate
CID 70965524
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
6-[(2,2,6,6-tetramethylpiperidin-4-yl)oxycarbonylamino]undecanoic acid
CID 90832093
(2,2,6,6-tetramethylpiperidin-4-yl) 9-formylundecanoate
CID 126548120
3-O,4-O-bis(2,2,6,6-tetramethylpiperidin-4-yl) 1-O,2-O-ditridecyl butane-1,2,3,4-tetracarboxylate
CID 58004425
bis(2,2,6,6-tetramethylpiperidin-4-yl) decanedioate;(2,2,6,6-tetramethylpiperidin-4-yl) butanoate
CID 161160145
[1-(2,2,6,6-tetramethylpiperidin-4-yl)oxy-9-(2,2,6,6-tetramethylpiperidin-4-yl)oxycarbonylundecylidene]oxidanium
CID 153184887
(2,2,6,6-tetramethylpiperidin-4-yl) 2,2-dibromoacetate
CID 162509434
1-(2,2,6,6-tetramethylpiperidin-4-yl)octadecan-1-amine
CID 70555814
bis(2,2,6,6-tetramethylpiperidin-4-yl) 2,2-dibutylpropanedioate
CID 20512140
bis(2,2,6,6-tetramethylpiperidin-4-yl) 3-ethyldecanedioate
CID 137448538
tetrakis(2,2,6,6-tetramethylpiperidin-4-yl) butane-1,1,1,2-tetracarboxylate
CID 54136975

Frequently Asked Questions

What is the IUPAC name of (2,2,6,6-tetramethylpiperidin-4-yl) 2-hexyl-5-methylundec-3-enoate?
The IUPAC name of (2,2,6,6-tetramethylpiperidin-4-yl) 2-hexyl-5-methylundec-3-enoate (CID 71130144) is (2,2,6,6-tetramethylpiperidin-4-yl) 2-hexyl-5-methylundec-3-enoate.
What is the SMILES notation for (2,2,6,6-tetramethylpiperidin-4-yl) 2-hexyl-5-methylundec-3-enoate?
The canonical SMILES for (2,2,6,6-tetramethylpiperidin-4-yl) 2-hexyl-5-methylundec-3-enoate is CCCCCCC(C)C=CC(CCCCCC)C(=O)OC1CC(C)(C)NC(C)(C)C1.
What is the InChIKey of (2,2,6,6-tetramethylpiperidin-4-yl) 2-hexyl-5-methylundec-3-enoate?
The InChIKey is FGNBMYHVFFKXSD-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H51NO2/c1-8-10-12-14-16-22(3)18-19-23(17-15-13-11-9-2)25(29)30-24-20-26(4,5)28-27(6,7)21-24/h18-19,22-24,28H,8-17,20-21H2,1-7H3.
What are the key properties of (2,2,6,6-tetramethylpiperidin-4-yl) 2-hexyl-5-methylundec-3-enoate?
(2,2,6,6-tetramethylpiperidin-4-yl) 2-hexyl-5-methylundec-3-enoate has a molecular weight of 421.71 g/mol, XLogP of 7.59, 14 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2,2,6,6-tetramethylpiperidin-4-yl) 2-hexyl-5-methylundec-3-enoate is sourced from PubChem (CID 71130144), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).