tetrakis(1,2,2,6,6-pentamethylpiperidin-4-yl) ethane-1,1,2,2-tetracarboxylate

C46H82N4O8 — CID 58239645

IUPACtetrakis(1,2,2,6,6-pentamethylpiperidin-4-yl) ethane-1,1,2,2-tetracarboxylate
SMILESCN1C(C)(C)CC(OC(=O)C(C(=O)OC2CC(C)(C)N(C)C(C)(C)C2)C(C(=O)OC2CC(C)(C)N(C)C(C)(C)C2)C(=O)OC2CC(C)(C)N(C)C(C)(C)C2)CC1(C)C
InChIInChI=1S/C46H82N4O8/c1-39(2)21-29(22-40(3,4)47(39)17)55-35(51)33(36(52)56-30-23-41(5,6)48(18)42(7,8)24-30)34(37(53)57-31-25-43(9,10)49(19)44(11,12)26-31)38(54)58-32-27-45(13,14)50(20)46(15,16)28-32/h29-34H,21-28H2,1-20H3
InChIKeyCPXHAMQFMFHBGU-UHFFFAOYSA-N
MW819.18 g/mol
LogP7.00
Rot. Bonds9

About tetrakis(1,2,2,6,6-pentamethylpiperidin-4-yl) ethane-1,1,2,2-tetracarboxylate

tetrakis(1,2,2,6,6-pentamethylpiperidin-4-yl) ethane-1,1,2,2-tetracarboxylate (PubChem CID 58239645) has the molecular formula C46H82N4O8 and a molecular weight of 819.18 g/mol. Its IUPAC name is tetrakis(1,2,2,6,6-pentamethylpiperidin-4-yl) ethane-1,1,2,2-tetracarboxylate.

Molecular Properties

Compound Nametetrakis(1,2,2,6,6-pentamethylpiperidin-4-yl) ethane-1,1,2,2-tetracarboxylate
PubChem CID58239645
Molecular FormulaC46H82N4O8
Molecular Weight819.18 g/mol
Exact Mass818.61
IUPAC Nametetrakis(1,2,2,6,6-pentamethylpiperidin-4-yl) ethane-1,1,2,2-tetracarboxylate
SMILESCN1C(C)(C)CC(OC(=O)C(C(=O)OC2CC(C)(C)N(C)C(C)(C)C2)C(C(=O)OC2CC(C)(C)N(C)C(C)(C)C2)C(=O)OC2CC(C)(C)N(C)C(C)(C)C2)CC1(C)C
InChIInChI=1S/C46H82N4O8/c1-39(2)21-29(22-40(3,4)47(39)17)55-35(51)33(36(52)56-30-23-41(5,6)48(18)42(7,8)24-30)34(37(53)57-31-25-43(9,10)49(19)44(11,12)26-31)38(54)58-32-27-45(13,14)50(20)46(15,16)28-32/h29-34H,21-28H2,1-20H3
InChIKeyCPXHAMQFMFHBGU-UHFFFAOYSA-N
XLogP7.00
TPSA118.16 Ų
H-Bond Donors
H-Bond Acceptors12
Rotatable Bonds9
Heavy Atoms58
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 500819.18
LogP ≤ 57.00
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 1012

Computed Properties (RDKit)

Structural Alerts{'alert_name': '>_2_ester_groups', 'substructure': 'N/A'}, {'alert_name': 'beta-keto/anhydride', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of tetrakis(1,2,2,6,6-pentamethylpiperidin-4-yl) ethane-1,1,2,2-tetracarboxylate?
The IUPAC name of tetrakis(1,2,2,6,6-pentamethylpiperidin-4-yl) ethane-1,1,2,2-tetracarboxylate (CID 58239645) is tetrakis(1,2,2,6,6-pentamethylpiperidin-4-yl) ethane-1,1,2,2-tetracarboxylate.
What is the SMILES notation for tetrakis(1,2,2,6,6-pentamethylpiperidin-4-yl) ethane-1,1,2,2-tetracarboxylate?
The canonical SMILES for tetrakis(1,2,2,6,6-pentamethylpiperidin-4-yl) ethane-1,1,2,2-tetracarboxylate is CN1C(C)(C)CC(OC(=O)C(C(=O)OC2CC(C)(C)N(C)C(C)(C)C2)C(C(=O)OC2CC(C)(C)N(C)C(C)(C)C2)C(=O)OC2CC(C)(C)N(C)C(C)(C)C2)CC1(C)C.
What is the InChIKey of tetrakis(1,2,2,6,6-pentamethylpiperidin-4-yl) ethane-1,1,2,2-tetracarboxylate?
The InChIKey is CPXHAMQFMFHBGU-UHFFFAOYSA-N. The full InChI is InChI=1S/C46H82N4O8/c1-39(2)21-29(22-40(3,4)47(39)17)55-35(51)33(36(52)56-30-23-41(5,6)48(18)42(7,8)24-30)34(37(53)57-31-25-43(9,10)49(19)44(11,12)26-31)38(54)58-32-27-45(13,14)50(20)46(15,16)28-32/h29-34H,21-28H2,1-20H3.
What are the key properties of tetrakis(1,2,2,6,6-pentamethylpiperidin-4-yl) ethane-1,1,2,2-tetracarboxylate?
tetrakis(1,2,2,6,6-pentamethylpiperidin-4-yl) ethane-1,1,2,2-tetracarboxylate has a molecular weight of 819.18 g/mol, XLogP of 7.00, 9 rotatable bonds, 0 hydrogen bond donors, and 12 hydrogen bond acceptors.
Where does this data come from?
All data for tetrakis(1,2,2,6,6-pentamethylpiperidin-4-yl) ethane-1,1,2,2-tetracarboxylate is sourced from PubChem (CID 58239645), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).