1-O-[2-methyl-2-[3-[2-methyl-1-[6-oxo-6-(2,2,6,6-tetramethylpiperidin-4-yl)oxy-3,4-bis[(2,2,6,6-tetramethylpiperidin-4-yl)oxycarbonyl]hexanoyl]oxypropan-2-yl]-2,4,8,10-tetraoxaspiro[5.5]undecan-9-yl]propyl] 2-O,3-O,4-O-tris(2,2,6,6-tetramethylpiperidin-4-yl) butane-1,2,3,4-tetracarboxylate

C85H146N6O20 — CID 19996250

IUPAC1-O-[2-methyl-2-[3-[2-methyl-1-[6-oxo-6-(2,2,6,6-tetramethylpiperidin-4-yl)oxy-3,4-bis[(2,2,6,6-tetramethylpiperidin-4-yl)oxycarbonyl]hexanoyl]oxypropan-2-yl]-2,4,8,10-tetraoxaspiro[5.5]undecan-9-yl]propyl] 2-O,3-O,4-O-tris(2,2,6,6-tetramethylpiperidin-4-yl) butane-1,2,3,4-tetracarboxylate
SMILESCC1(C)CC(OC(=O)CC(C(=O)OC2CC(C)(C)NC(C)(C)C2)C(CC(=O)OCC(C)(C)C2OCC3(CO2)COC(C(C)(C)COC(=O)CC(C(=O)OC2CC(C)(C)NC(C)(C)C2)C(CC(=O)OC2CC(C)(C)NC(C)(C)C2)C(=O)OC2CC(C)(C)NC(C)(C)C2)OC3)C(=O)OC2CC(C)(C)NC(C)(C)C2)CC(C)(C)N1
InChIInChI=1S/C85H146N6O20/c1-71(2,45-100-61(92)29-57(65(96)108-53-37-77(13,14)88-78(15,16)38-53)59(67(98)110-55-41-81(21,22)90-82(23,24)42-55)31-63(94)106-51-33-73(5,6)86-74(7,8)34-51)69-102-47-85(48-103-69)49-104-70(105-50-85)72(3,4)46-101-62(93)30-58(66(97)109-54-39-79(17,18)89-80(19,20)40-54)60(68(99)111-56-43-83(25,26)91-84(27,28)44-56)32-64(95)107-52-35-75(9,10)87-76(11,12)36-52/h51-60,69-70,86-91H,29-50H2,1-28H3
InChIKeyIFQSHNMLXOVJMS-UHFFFAOYSA-N
MW1572.12 g/mol
LogP11.00
Rot. Bonds26

About 1-O-[2-methyl-2-[3-[2-methyl-1-[6-oxo-6-(2,2,6,6-tetramethylpiperidin-4-yl)oxy-3,4-bis[(2,2,6,6-tetramethylpiperidin-4-yl)oxycarbonyl]hexanoyl]oxypropan-2-yl]-2,4,8,10-tetraoxaspiro[5.5]undecan-9-yl]propyl] 2-O,3-O,4-O-tris(2,2,6,6-tetramethylpiperidin-4-yl) butane-1,2,3,4-tetracarboxylate

1-O-[2-methyl-2-[3-[2-methyl-1-[6-oxo-6-(2,2,6,6-tetramethylpiperidin-4-yl)oxy-3,4-bis[(2,2,6,6-tetramethylpiperidin-4-yl)oxycarbonyl]hexanoyl]oxypropan-2-yl]-2,4,8,10-tetraoxaspiro[5.5]undecan-9-yl]propyl] 2-O,3-O,4-O-tris(2,2,6,6-tetramethylpiperidin-4-yl) butane-1,2,3,4-tetracarboxylate (PubChem CID 19996250) 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-[6-oxo-6-(2,2,6,6-tetramethylpiperidin-4-yl)oxy-3,4-bis[(2,2,6,6-tetramethylpiperidin-4-yl)oxycarbonyl]hexanoyl]oxypropan-2-yl]-2,4,8,10-tetraoxaspiro[5.5]undecan-9-yl]propyl] 2-O,3-O,4-O-tris(2,2,6,6-tetramethylpiperidin-4-yl) butane-1,2,3,4-tetracarboxylate.

Molecular Properties

Compound Name1-O-[2-methyl-2-[3-[2-methyl-1-[6-oxo-6-(2,2,6,6-tetramethylpiperidin-4-yl)oxy-3,4-bis[(2,2,6,6-tetramethylpiperidin-4-yl)oxycarbonyl]hexanoyl]oxypropan-2-yl]-2,4,8,10-tetraoxaspiro[5.5]undecan-9-yl]propyl] 2-O,3-O,4-O-tris(2,2,6,6-tetramethylpiperidin-4-yl) butane-1,2,3,4-tetracarboxylate
PubChem CID19996250
Molecular FormulaC85H146N6O20
Molecular Weight1572.12 g/mol
Exact Mass1571.06
IUPAC Name1-O-[2-methyl-2-[3-[2-methyl-1-[6-oxo-6-(2,2,6,6-tetramethylpiperidin-4-yl)oxy-3,4-bis[(2,2,6,6-tetramethylpiperidin-4-yl)oxycarbonyl]hexanoyl]oxypropan-2-yl]-2,4,8,10-tetraoxaspiro[5.5]undecan-9-yl]propyl] 2-O,3-O,4-O-tris(2,2,6,6-tetramethylpiperidin-4-yl) butane-1,2,3,4-tetracarboxylate
SMILESCC1(C)CC(OC(=O)CC(C(=O)OC2CC(C)(C)NC(C)(C)C2)C(CC(=O)OCC(C)(C)C2OCC3(CO2)COC(C(C)(C)COC(=O)CC(C(=O)OC2CC(C)(C)NC(C)(C)C2)C(CC(=O)OC2CC(C)(C)NC(C)(C)C2)C(=O)OC2CC(C)(C)NC(C)(C)C2)OC3)C(=O)OC2CC(C)(C)NC(C)(C)C2)CC(C)(C)N1
InChIInChI=1S/C85H146N6O20/c1-71(2,45-100-61(92)29-57(65(96)108-53-37-77(13,14)88-78(15,16)38-53)59(67(98)110-55-41-81(21,22)90-82(23,24)42-55)31-63(94)106-51-33-73(5,6)86-74(7,8)34-51)69-102-47-85(48-103-69)49-104-70(105-50-85)72(3,4)46-101-62(93)30-58(66(97)109-54-39-79(17,18)89-80(19,20)40-54)60(68(99)111-56-43-83(25,26)91-84(27,28)44-56)32-64(95)107-52-35-75(9,10)87-76(11,12)36-52/h51-60,69-70,86-91H,29-50H2,1-28H3
InChIKeyIFQSHNMLXOVJMS-UHFFFAOYSA-N
XLogP11.00
TPSA319.50 Ų
H-Bond Donors6
H-Bond Acceptors26
Rotatable Bonds26
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'}

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

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Frequently Asked Questions

What is the IUPAC name of 1-O-[2-methyl-2-[3-[2-methyl-1-[6-oxo-6-(2,2,6,6-tetramethylpiperidin-4-yl)oxy-3,4-bis[(2,2,6,6-tetramethylpiperidin-4-yl)oxycarbonyl]hexanoyl]oxypropan-2-yl]-2,4,8,10-tetraoxaspiro[5.5]undecan-9-yl]propyl] 2-O,3-O,4-O-tris(2,2,6,6-tetramethylpiperidin-4-yl) butane-1,2,3,4-tetracarboxylate?
The IUPAC name of 1-O-[2-methyl-2-[3-[2-methyl-1-[6-oxo-6-(2,2,6,6-tetramethylpiperidin-4-yl)oxy-3,4-bis[(2,2,6,6-tetramethylpiperidin-4-yl)oxycarbonyl]hexanoyl]oxypropan-2-yl]-2,4,8,10-tetraoxaspiro[5.5]undecan-9-yl]propyl] 2-O,3-O,4-O-tris(2,2,6,6-tetramethylpiperidin-4-yl) butane-1,2,3,4-tetracarboxylate (CID 19996250) is 1-O-[2-methyl-2-[3-[2-methyl-1-[6-oxo-6-(2,2,6,6-tetramethylpiperidin-4-yl)oxy-3,4-bis[(2,2,6,6-tetramethylpiperidin-4-yl)oxycarbonyl]hexanoyl]oxypropan-2-yl]-2,4,8,10-tetraoxaspiro[5.5]undecan-9-yl]propyl] 2-O,3-O,4-O-tris(2,2,6,6-tetramethylpiperidin-4-yl) butane-1,2,3,4-tetracarboxylate.
What is the SMILES notation for 1-O-[2-methyl-2-[3-[2-methyl-1-[6-oxo-6-(2,2,6,6-tetramethylpiperidin-4-yl)oxy-3,4-bis[(2,2,6,6-tetramethylpiperidin-4-yl)oxycarbonyl]hexanoyl]oxypropan-2-yl]-2,4,8,10-tetraoxaspiro[5.5]undecan-9-yl]propyl] 2-O,3-O,4-O-tris(2,2,6,6-tetramethylpiperidin-4-yl) butane-1,2,3,4-tetracarboxylate?
The canonical SMILES for 1-O-[2-methyl-2-[3-[2-methyl-1-[6-oxo-6-(2,2,6,6-tetramethylpiperidin-4-yl)oxy-3,4-bis[(2,2,6,6-tetramethylpiperidin-4-yl)oxycarbonyl]hexanoyl]oxypropan-2-yl]-2,4,8,10-tetraoxaspiro[5.5]undecan-9-yl]propyl] 2-O,3-O,4-O-tris(2,2,6,6-tetramethylpiperidin-4-yl) butane-1,2,3,4-tetracarboxylate is CC1(C)CC(OC(=O)CC(C(=O)OC2CC(C)(C)NC(C)(C)C2)C(CC(=O)OCC(C)(C)C2OCC3(CO2)COC(C(C)(C)COC(=O)CC(C(=O)OC2CC(C)(C)NC(C)(C)C2)C(CC(=O)OC2CC(C)(C)NC(C)(C)C2)C(=O)OC2CC(C)(C)NC(C)(C)C2)OC3)C(=O)OC2CC(C)(C)NC(C)(C)C2)CC(C)(C)N1.
What is the InChIKey of 1-O-[2-methyl-2-[3-[2-methyl-1-[6-oxo-6-(2,2,6,6-tetramethylpiperidin-4-yl)oxy-3,4-bis[(2,2,6,6-tetramethylpiperidin-4-yl)oxycarbonyl]hexanoyl]oxypropan-2-yl]-2,4,8,10-tetraoxaspiro[5.5]undecan-9-yl]propyl] 2-O,3-O,4-O-tris(2,2,6,6-tetramethylpiperidin-4-yl) butane-1,2,3,4-tetracarboxylate?
The InChIKey is IFQSHNMLXOVJMS-UHFFFAOYSA-N. The full InChI is InChI=1S/C85H146N6O20/c1-71(2,45-100-61(92)29-57(65(96)108-53-37-77(13,14)88-78(15,16)38-53)59(67(98)110-55-41-81(21,22)90-82(23,24)42-55)31-63(94)106-51-33-73(5,6)86-74(7,8)34-51)69-102-47-85(48-103-69)49-104-70(105-50-85)72(3,4)46-101-62(93)30-58(66(97)109-54-39-79(17,18)89-80(19,20)40-54)60(68(99)111-56-43-83(25,26)91-84(27,28)44-56)32-64(95)107-52-35-75(9,10)87-76(11,12)36-52/h51-60,69-70,86-91H,29-50H2,1-28H3.
What are the key properties of 1-O-[2-methyl-2-[3-[2-methyl-1-[6-oxo-6-(2,2,6,6-tetramethylpiperidin-4-yl)oxy-3,4-bis[(2,2,6,6-tetramethylpiperidin-4-yl)oxycarbonyl]hexanoyl]oxypropan-2-yl]-2,4,8,10-tetraoxaspiro[5.5]undecan-9-yl]propyl] 2-O,3-O,4-O-tris(2,2,6,6-tetramethylpiperidin-4-yl) butane-1,2,3,4-tetracarboxylate?
1-O-[2-methyl-2-[3-[2-methyl-1-[6-oxo-6-(2,2,6,6-tetramethylpiperidin-4-yl)oxy-3,4-bis[(2,2,6,6-tetramethylpiperidin-4-yl)oxycarbonyl]hexanoyl]oxypropan-2-yl]-2,4,8,10-tetraoxaspiro[5.5]undecan-9-yl]propyl] 2-O,3-O,4-O-tris(2,2,6,6-tetramethylpiperidin-4-yl) butane-1,2,3,4-tetracarboxylate has a molecular weight of 1572.12 g/mol, XLogP of 11.00, 26 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-[6-oxo-6-(2,2,6,6-tetramethylpiperidin-4-yl)oxy-3,4-bis[(2,2,6,6-tetramethylpiperidin-4-yl)oxycarbonyl]hexanoyl]oxypropan-2-yl]-2,4,8,10-tetraoxaspiro[5.5]undecan-9-yl]propyl] 2-O,3-O,4-O-tris(2,2,6,6-tetramethylpiperidin-4-yl) butane-1,2,3,4-tetracarboxylate is sourced from PubChem (CID 19996250), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).