5-O-(3,3,5,5-tetramethylcyclohexyl) 1-O,2-O,3-O,4-O-tetrakis(2,2,6,6-tetramethylpiperidin-4-yl) cyclohexane-1,2,3,4,5-pentacarboxylate

C57H98N4O10 — CID 162124780

IUPAC5-O-(3,3,5,5-tetramethylcyclohexyl) 1-O,2-O,3-O,4-O-tetrakis(2,2,6,6-tetramethylpiperidin-4-yl) cyclohexane-1,2,3,4,5-pentacarboxylate
SMILESCC1(C)CC(OC(=O)C2CC(C(=O)OC3CC(C)(C)NC(C)(C)C3)C(C(=O)OC3CC(C)(C)NC(C)(C)C3)C(C(=O)OC3CC(C)(C)NC(C)(C)C3)C2C(=O)OC2CC(C)(C)NC(C)(C)C2)CC(C)(C)C1
InChIInChI=1S/C57H98N4O10/c1-48(2)22-33(23-49(3,4)32-48)67-43(62)38-21-39(44(63)68-34-24-50(5,6)58-51(7,8)25-34)41(46(65)70-36-28-54(13,14)60-55(15,16)29-36)42(47(66)71-37-30-56(17,18)61-57(19,20)31-37)40(38)45(64)69-35-26-52(9,10)59-53(11,12)27-35/h33-42,58-61H,21-32H2,1-20H3
InChIKeyZHWNNLOKMUDIMD-UHFFFAOYSA-N
MW999.43 g/mol
LogP9.03
Rot. Bonds10

About 5-O-(3,3,5,5-tetramethylcyclohexyl) 1-O,2-O,3-O,4-O-tetrakis(2,2,6,6-tetramethylpiperidin-4-yl) cyclohexane-1,2,3,4,5-pentacarboxylate

5-O-(3,3,5,5-tetramethylcyclohexyl) 1-O,2-O,3-O,4-O-tetrakis(2,2,6,6-tetramethylpiperidin-4-yl) cyclohexane-1,2,3,4,5-pentacarboxylate (PubChem CID 162124780) has the molecular formula C57H98N4O10 and a molecular weight of 999.43 g/mol. Its IUPAC name is 5-O-(3,3,5,5-tetramethylcyclohexyl) 1-O,2-O,3-O,4-O-tetrakis(2,2,6,6-tetramethylpiperidin-4-yl) cyclohexane-1,2,3,4,5-pentacarboxylate.

Molecular Properties

Compound Name5-O-(3,3,5,5-tetramethylcyclohexyl) 1-O,2-O,3-O,4-O-tetrakis(2,2,6,6-tetramethylpiperidin-4-yl) cyclohexane-1,2,3,4,5-pentacarboxylate
PubChem CID162124780
Molecular FormulaC57H98N4O10
Molecular Weight999.43 g/mol
Exact Mass998.73
IUPAC Name5-O-(3,3,5,5-tetramethylcyclohexyl) 1-O,2-O,3-O,4-O-tetrakis(2,2,6,6-tetramethylpiperidin-4-yl) cyclohexane-1,2,3,4,5-pentacarboxylate
SMILESCC1(C)CC(OC(=O)C2CC(C(=O)OC3CC(C)(C)NC(C)(C)C3)C(C(=O)OC3CC(C)(C)NC(C)(C)C3)C(C(=O)OC3CC(C)(C)NC(C)(C)C3)C2C(=O)OC2CC(C)(C)NC(C)(C)C2)CC(C)(C)C1
InChIInChI=1S/C57H98N4O10/c1-48(2)22-33(23-49(3,4)32-48)67-43(62)38-21-39(44(63)68-34-24-50(5,6)58-51(7,8)25-34)41(46(65)70-36-28-54(13,14)60-55(15,16)29-36)42(47(66)71-37-30-56(17,18)61-57(19,20)31-37)40(38)45(64)69-35-26-52(9,10)59-53(11,12)27-35/h33-42,58-61H,21-32H2,1-20H3
InChIKeyZHWNNLOKMUDIMD-UHFFFAOYSA-N
XLogP9.03
TPSA179.62 Ų
H-Bond Donors4
H-Bond Acceptors14
Rotatable Bonds10
Heavy Atoms71
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 500999.43
LogP ≤ 59.03
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 1014

Computed Properties (RDKit)

Structural Alerts{'alert_name': '>_2_ester_groups', 'substructure': 'N/A'}

Analyze 5-O-(3,3,5,5-tetramethylcyclohexyl) 1-O,2-O,3-O,4-O-tetrakis(2,2,6,6-tetramethylpiperidin-4-yl) cyclohexane-1,2,3,4,5-pentacarboxylate with MolForge

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Related Compounds

1-O,3-O-bis(1,2,2,6,6-pentamethylpiperidin-4-yl) 2-O,4-O-bis(2,2,6,6-tetramethylpiperidin-4-yl) cyclopentane-1,2,3,4-tetracarboxylate
CID 139317087
bis(2,2,6,6-tetramethylpiperidin-4-yl) cyclohexane-1,2-dicarboxylate
CID 70594525
bis(2,2,6,6-tetramethylpiperidin-4-yl) cyclohexane-1,4-dicarboxylate
CID 67107833
2-O-(3,3,5,5-tetramethylcyclohexyl) 1-O,3-O,4-O-tris(2,2,6,6-tetramethylpiperidin-4-yl) butane-1,2,3,4-tetracarboxylate
CID 58322136
tetrakis(2,2,6,6-tetramethylpiperidin-4-yl) ethene-1,1,2,2-tetracarboxylate
CID 22761497
bis(2,2,6,6-tetramethylpiperidin-4-yl) 2,2-dimethylpropanedioate
CID 139985901
iodo (2,2,6,6-tetramethylpiperidin-4-yl) carbonate
CID 163508092
(2,2,6,6-tetramethylpiperidin-4-yl) cyanoformate
CID 87076911
(2,2,6,6-tetramethylpiperidin-4-yl) 2,2-dibromoacetate
CID 162509434
2-(2,2,6,6-tetramethylpiperidin-4-yl)oxyprop-2-enoate
CID 21330422
(2,2,6,6-tetramethylpiperidin-4-yl) 2-oxocyclohexane-1-carboxylate
CID 23338206
[2,3,4-tris[(2,2,6,6-tetramethylpiperidine-4-carbonyl)oxy]cyclohexyl] 2,2,6,6-tetramethylpiperidine-4-carboxylate
CID 139317427

Frequently Asked Questions

What is the IUPAC name of 5-O-(3,3,5,5-tetramethylcyclohexyl) 1-O,2-O,3-O,4-O-tetrakis(2,2,6,6-tetramethylpiperidin-4-yl) cyclohexane-1,2,3,4,5-pentacarboxylate?
The IUPAC name of 5-O-(3,3,5,5-tetramethylcyclohexyl) 1-O,2-O,3-O,4-O-tetrakis(2,2,6,6-tetramethylpiperidin-4-yl) cyclohexane-1,2,3,4,5-pentacarboxylate (CID 162124780) is 5-O-(3,3,5,5-tetramethylcyclohexyl) 1-O,2-O,3-O,4-O-tetrakis(2,2,6,6-tetramethylpiperidin-4-yl) cyclohexane-1,2,3,4,5-pentacarboxylate.
What is the SMILES notation for 5-O-(3,3,5,5-tetramethylcyclohexyl) 1-O,2-O,3-O,4-O-tetrakis(2,2,6,6-tetramethylpiperidin-4-yl) cyclohexane-1,2,3,4,5-pentacarboxylate?
The canonical SMILES for 5-O-(3,3,5,5-tetramethylcyclohexyl) 1-O,2-O,3-O,4-O-tetrakis(2,2,6,6-tetramethylpiperidin-4-yl) cyclohexane-1,2,3,4,5-pentacarboxylate is CC1(C)CC(OC(=O)C2CC(C(=O)OC3CC(C)(C)NC(C)(C)C3)C(C(=O)OC3CC(C)(C)NC(C)(C)C3)C(C(=O)OC3CC(C)(C)NC(C)(C)C3)C2C(=O)OC2CC(C)(C)NC(C)(C)C2)CC(C)(C)C1.
What is the InChIKey of 5-O-(3,3,5,5-tetramethylcyclohexyl) 1-O,2-O,3-O,4-O-tetrakis(2,2,6,6-tetramethylpiperidin-4-yl) cyclohexane-1,2,3,4,5-pentacarboxylate?
The InChIKey is ZHWNNLOKMUDIMD-UHFFFAOYSA-N. The full InChI is InChI=1S/C57H98N4O10/c1-48(2)22-33(23-49(3,4)32-48)67-43(62)38-21-39(44(63)68-34-24-50(5,6)58-51(7,8)25-34)41(46(65)70-36-28-54(13,14)60-55(15,16)29-36)42(47(66)71-37-30-56(17,18)61-57(19,20)31-37)40(38)45(64)69-35-26-52(9,10)59-53(11,12)27-35/h33-42,58-61H,21-32H2,1-20H3.
What are the key properties of 5-O-(3,3,5,5-tetramethylcyclohexyl) 1-O,2-O,3-O,4-O-tetrakis(2,2,6,6-tetramethylpiperidin-4-yl) cyclohexane-1,2,3,4,5-pentacarboxylate?
5-O-(3,3,5,5-tetramethylcyclohexyl) 1-O,2-O,3-O,4-O-tetrakis(2,2,6,6-tetramethylpiperidin-4-yl) cyclohexane-1,2,3,4,5-pentacarboxylate has a molecular weight of 999.43 g/mol, XLogP of 9.03, 10 rotatable bonds, 4 hydrogen bond donors, and 14 hydrogen bond acceptors.
Where does this data come from?
All data for 5-O-(3,3,5,5-tetramethylcyclohexyl) 1-O,2-O,3-O,4-O-tetrakis(2,2,6,6-tetramethylpiperidin-4-yl) cyclohexane-1,2,3,4,5-pentacarboxylate is sourced from PubChem (CID 162124780), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).