1-O-[2-methyl-2-[3-[2-methyl-1-[2,2,3-tris[(2,2,6,6-tetramethylpiperidin-4-yl)oxycarbonyl]pentanoyloxy]propan-2-yl]-2,4,8,10-tetraoxaspiro[5.5]undecan-9-yl]propyl] 1-O,1-O,2-O-tris(2,2,6,6-tetramethylpiperidin-4-yl) butane-1,1,1,2-tetracarboxylate

C85H146N6O20 — CID 18358577

IUPAC1-O-[2-methyl-2-[3-[2-methyl-1-[2,2,3-tris[(2,2,6,6-tetramethylpiperidin-4-yl)oxycarbonyl]pentanoyloxy]propan-2-yl]-2,4,8,10-tetraoxaspiro[5.5]undecan-9-yl]propyl] 1-O,1-O,2-O-tris(2,2,6,6-tetramethylpiperidin-4-yl) butane-1,1,1,2-tetracarboxylate
SMILESCCC(C(=O)OC1CC(C)(C)NC(C)(C)C1)C(C(=O)OCC(C)(C)C1OCC2(CO1)COC(C(C)(C)COC(=O)C(C(=O)OC1CC(C)(C)NC(C)(C)C1)(C(=O)OC1CC(C)(C)NC(C)(C)C1)C(CC)C(=O)OC1CC(C)(C)NC(C)(C)C1)OC2)(C(=O)OC1CC(C)(C)NC(C)(C)C1)C(=O)OC1CC(C)(C)NC(C)(C)C1
InChIInChI=1S/C85H146N6O20/c1-31-57(59(92)106-51-33-71(7,8)86-72(9,10)34-51)84(63(96)108-53-37-75(15,16)88-76(17,18)38-53,64(97)109-54-39-77(19,20)89-78(21,22)40-54)61(94)100-45-69(3,4)67-102-47-83(48-103-67)49-104-68(105-50-83)70(5,6)46-101-62(95)85(65(98)110-55-41-79(23,24)90-80(25,26)42-55,66(99)111-56-43-81(27,28)91-82(29,30)44-56)58(32-2)60(93)107-52-35-73(11,12)87-74(13,14)36-52/h51-58,67-68,86-91H,31-50H2,1-30H3
InChIKeyIRWRAHDFCZNRSE-UHFFFAOYSA-N
MW1572.12 g/mol
LogP11.00
Rot. Bonds24

About 1-O-[2-methyl-2-[3-[2-methyl-1-[2,2,3-tris[(2,2,6,6-tetramethylpiperidin-4-yl)oxycarbonyl]pentanoyloxy]propan-2-yl]-2,4,8,10-tetraoxaspiro[5.5]undecan-9-yl]propyl] 1-O,1-O,2-O-tris(2,2,6,6-tetramethylpiperidin-4-yl) butane-1,1,1,2-tetracarboxylate

1-O-[2-methyl-2-[3-[2-methyl-1-[2,2,3-tris[(2,2,6,6-tetramethylpiperidin-4-yl)oxycarbonyl]pentanoyloxy]propan-2-yl]-2,4,8,10-tetraoxaspiro[5.5]undecan-9-yl]propyl] 1-O,1-O,2-O-tris(2,2,6,6-tetramethylpiperidin-4-yl) butane-1,1,1,2-tetracarboxylate (PubChem CID 18358577) has the molecular formula C85H146N6O20 and a molecular weight of 1572.12 g/mol. Its IUPAC name is 1-O-[2-methyl-2-[3-[2-methyl-1-[2,2,3-tris[(2,2,6,6-tetramethylpiperidin-4-yl)oxycarbonyl]pentanoyloxy]propan-2-yl]-2,4,8,10-tetraoxaspiro[5.5]undecan-9-yl]propyl] 1-O,1-O,2-O-tris(2,2,6,6-tetramethylpiperidin-4-yl) butane-1,1,1,2-tetracarboxylate.

Molecular Properties

Compound Name1-O-[2-methyl-2-[3-[2-methyl-1-[2,2,3-tris[(2,2,6,6-tetramethylpiperidin-4-yl)oxycarbonyl]pentanoyloxy]propan-2-yl]-2,4,8,10-tetraoxaspiro[5.5]undecan-9-yl]propyl] 1-O,1-O,2-O-tris(2,2,6,6-tetramethylpiperidin-4-yl) butane-1,1,1,2-tetracarboxylate
PubChem CID18358577
Molecular FormulaC85H146N6O20
Molecular Weight1572.12 g/mol
Exact Mass1571.06
IUPAC Name1-O-[2-methyl-2-[3-[2-methyl-1-[2,2,3-tris[(2,2,6,6-tetramethylpiperidin-4-yl)oxycarbonyl]pentanoyloxy]propan-2-yl]-2,4,8,10-tetraoxaspiro[5.5]undecan-9-yl]propyl] 1-O,1-O,2-O-tris(2,2,6,6-tetramethylpiperidin-4-yl) butane-1,1,1,2-tetracarboxylate
SMILESCCC(C(=O)OC1CC(C)(C)NC(C)(C)C1)C(C(=O)OCC(C)(C)C1OCC2(CO1)COC(C(C)(C)COC(=O)C(C(=O)OC1CC(C)(C)NC(C)(C)C1)(C(=O)OC1CC(C)(C)NC(C)(C)C1)C(CC)C(=O)OC1CC(C)(C)NC(C)(C)C1)OC2)(C(=O)OC1CC(C)(C)NC(C)(C)C1)C(=O)OC1CC(C)(C)NC(C)(C)C1
InChIInChI=1S/C85H146N6O20/c1-31-57(59(92)106-51-33-71(7,8)86-72(9,10)34-51)84(63(96)108-53-37-75(15,16)88-76(17,18)38-53,64(97)109-54-39-77(19,20)89-78(21,22)40-54)61(94)100-45-69(3,4)67-102-47-83(48-103-67)49-104-68(105-50-83)70(5,6)46-101-62(95)85(65(98)110-55-41-79(23,24)90-80(25,26)42-55,66(99)111-56-43-81(27,28)91-82(29,30)44-56)58(32-2)60(93)107-52-35-73(11,12)87-74(13,14)36-52/h51-58,67-68,86-91H,31-50H2,1-30H3
InChIKeyIRWRAHDFCZNRSE-UHFFFAOYSA-N
XLogP11.00
TPSA319.50 Ų
H-Bond Donors6
H-Bond Acceptors26
Rotatable Bonds24
Heavy Atoms111
Complexity—

Lipinski Rule of Five

4 violations

RuleValue
MW ≤ 5001572.12
LogP ≤ 511.00
H-Bond Donors ≤ 56
H-Bond Acceptors ≤ 1026

Computed Properties (RDKit)

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

Analyze 1-O-[2-methyl-2-[3-[2-methyl-1-[2,2,3-tris[(2,2,6,6-tetramethylpiperidin-4-yl)oxycarbonyl]pentanoyloxy]propan-2-yl]-2,4,8,10-tetraoxaspiro[5.5]undecan-9-yl]propyl] 1-O,1-O,2-O-tris(2,2,6,6-tetramethylpiperidin-4-yl) butane-1,1,1,2-tetracarboxylate with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 1-O-[2-methyl-2-[3-[2-methyl-1-[2,2,3-tris[(2,2,6,6-tetramethylpiperidin-4-yl)oxycarbonyl]pentanoyloxy]propan-2-yl]-2,4,8,10-tetraoxaspiro[5.5]undecan-9-yl]propyl] 1-O,1-O,2-O-tris(2,2,6,6-tetramethylpiperidin-4-yl) butane-1,1,1,2-tetracarboxylate?
The IUPAC name of 1-O-[2-methyl-2-[3-[2-methyl-1-[2,2,3-tris[(2,2,6,6-tetramethylpiperidin-4-yl)oxycarbonyl]pentanoyloxy]propan-2-yl]-2,4,8,10-tetraoxaspiro[5.5]undecan-9-yl]propyl] 1-O,1-O,2-O-tris(2,2,6,6-tetramethylpiperidin-4-yl) butane-1,1,1,2-tetracarboxylate (CID 18358577) is 1-O-[2-methyl-2-[3-[2-methyl-1-[2,2,3-tris[(2,2,6,6-tetramethylpiperidin-4-yl)oxycarbonyl]pentanoyloxy]propan-2-yl]-2,4,8,10-tetraoxaspiro[5.5]undecan-9-yl]propyl] 1-O,1-O,2-O-tris(2,2,6,6-tetramethylpiperidin-4-yl) butane-1,1,1,2-tetracarboxylate.
What is the SMILES notation for 1-O-[2-methyl-2-[3-[2-methyl-1-[2,2,3-tris[(2,2,6,6-tetramethylpiperidin-4-yl)oxycarbonyl]pentanoyloxy]propan-2-yl]-2,4,8,10-tetraoxaspiro[5.5]undecan-9-yl]propyl] 1-O,1-O,2-O-tris(2,2,6,6-tetramethylpiperidin-4-yl) butane-1,1,1,2-tetracarboxylate?
The canonical SMILES for 1-O-[2-methyl-2-[3-[2-methyl-1-[2,2,3-tris[(2,2,6,6-tetramethylpiperidin-4-yl)oxycarbonyl]pentanoyloxy]propan-2-yl]-2,4,8,10-tetraoxaspiro[5.5]undecan-9-yl]propyl] 1-O,1-O,2-O-tris(2,2,6,6-tetramethylpiperidin-4-yl) butane-1,1,1,2-tetracarboxylate is CCC(C(=O)OC1CC(C)(C)NC(C)(C)C1)C(C(=O)OCC(C)(C)C1OCC2(CO1)COC(C(C)(C)COC(=O)C(C(=O)OC1CC(C)(C)NC(C)(C)C1)(C(=O)OC1CC(C)(C)NC(C)(C)C1)C(CC)C(=O)OC1CC(C)(C)NC(C)(C)C1)OC2)(C(=O)OC1CC(C)(C)NC(C)(C)C1)C(=O)OC1CC(C)(C)NC(C)(C)C1.
What is the InChIKey of 1-O-[2-methyl-2-[3-[2-methyl-1-[2,2,3-tris[(2,2,6,6-tetramethylpiperidin-4-yl)oxycarbonyl]pentanoyloxy]propan-2-yl]-2,4,8,10-tetraoxaspiro[5.5]undecan-9-yl]propyl] 1-O,1-O,2-O-tris(2,2,6,6-tetramethylpiperidin-4-yl) butane-1,1,1,2-tetracarboxylate?
The InChIKey is IRWRAHDFCZNRSE-UHFFFAOYSA-N. The full InChI is InChI=1S/C85H146N6O20/c1-31-57(59(92)106-51-33-71(7,8)86-72(9,10)34-51)84(63(96)108-53-37-75(15,16)88-76(17,18)38-53,64(97)109-54-39-77(19,20)89-78(21,22)40-54)61(94)100-45-69(3,4)67-102-47-83(48-103-67)49-104-68(105-50-83)70(5,6)46-101-62(95)85(65(98)110-55-41-79(23,24)90-80(25,26)42-55,66(99)111-56-43-81(27,28)91-82(29,30)44-56)58(32-2)60(93)107-52-35-73(11,12)87-74(13,14)36-52/h51-58,67-68,86-91H,31-50H2,1-30H3.
What are the key properties of 1-O-[2-methyl-2-[3-[2-methyl-1-[2,2,3-tris[(2,2,6,6-tetramethylpiperidin-4-yl)oxycarbonyl]pentanoyloxy]propan-2-yl]-2,4,8,10-tetraoxaspiro[5.5]undecan-9-yl]propyl] 1-O,1-O,2-O-tris(2,2,6,6-tetramethylpiperidin-4-yl) butane-1,1,1,2-tetracarboxylate?
1-O-[2-methyl-2-[3-[2-methyl-1-[2,2,3-tris[(2,2,6,6-tetramethylpiperidin-4-yl)oxycarbonyl]pentanoyloxy]propan-2-yl]-2,4,8,10-tetraoxaspiro[5.5]undecan-9-yl]propyl] 1-O,1-O,2-O-tris(2,2,6,6-tetramethylpiperidin-4-yl) butane-1,1,1,2-tetracarboxylate has a molecular weight of 1572.12 g/mol, XLogP of 11.00, 24 rotatable bonds, 6 hydrogen bond donors, and 26 hydrogen bond acceptors.
Where does this data come from?
All data for 1-O-[2-methyl-2-[3-[2-methyl-1-[2,2,3-tris[(2,2,6,6-tetramethylpiperidin-4-yl)oxycarbonyl]pentanoyloxy]propan-2-yl]-2,4,8,10-tetraoxaspiro[5.5]undecan-9-yl]propyl] 1-O,1-O,2-O-tris(2,2,6,6-tetramethylpiperidin-4-yl) butane-1,1,1,2-tetracarboxylate is sourced from PubChem (CID 18358577), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).