ethane;4-methoxy-1,2,2,6,6-pentamethylpiperidine;(1,2,2,6,6-pentamethylpiperidin-4-yl) 4-(3,5-ditert-butyl-4-hydroxyphenyl)-2-[(3,5-ditert-butylphenyl)methyl]-2-ethenylpent-4-enoate

C59H100N2O4 — CID 143317335

IUPACethane;4-methoxy-1,2,2,6,6-pentamethylpiperidine;(1,2,2,6,6-pentamethylpiperidin-4-yl) 4-(3,5-ditert-butyl-4-hydroxyphenyl)-2-[(3,5-ditert-butylphenyl)methyl]-2-ethenylpent-4-enoate
SMILESC=CC(CC(=C)c1cc(C(C)(C)C)c(O)c(C(C)(C)C)c1)(Cc1cc(C(C)(C)C)cc(C(C)(C)C)c1)C(=O)OC1CC(C)(C)N(C)C(C)(C)C1.CC.COC1CC(C)(C)N(C)C(C)(C)C1
InChIInChI=1S/C46H71NO3.C11H23NO.C2H6/c1-20-46(39(49)50-35-28-44(15,16)47(19)45(17,18)29-35,27-31-21-33(40(3,4)5)25-34(22-31)41(6,7)8)26-30(2)32-23-36(42(9,10)11)38(48)37(24-32)43(12,13)14;1-10(2)7-9(13-6)8-11(3,4)12(10)5;1-2/h20-25,35,48H,1-2,26-29H2,3-19H3;9H,7-8H2,1-6H3;1-2H3
InChIKeyCVIRNCGRAQTXII-UHFFFAOYSA-N
MW901.46 g/mol
LogP14.91
Rot. Bonds9

About ethane;4-methoxy-1,2,2,6,6-pentamethylpiperidine;(1,2,2,6,6-pentamethylpiperidin-4-yl) 4-(3,5-ditert-butyl-4-hydroxyphenyl)-2-[(3,5-ditert-butylphenyl)methyl]-2-ethenylpent-4-enoate

ethane;4-methoxy-1,2,2,6,6-pentamethylpiperidine;(1,2,2,6,6-pentamethylpiperidin-4-yl) 4-(3,5-ditert-butyl-4-hydroxyphenyl)-2-[(3,5-ditert-butylphenyl)methyl]-2-ethenylpent-4-enoate (PubChem CID 143317335) has the molecular formula C59H100N2O4 and a molecular weight of 901.46 g/mol. Its IUPAC name is ethane;4-methoxy-1,2,2,6,6-pentamethylpiperidine;(1,2,2,6,6-pentamethylpiperidin-4-yl) 4-(3,5-ditert-butyl-4-hydroxyphenyl)-2-[(3,5-ditert-butylphenyl)methyl]-2-ethenylpent-4-enoate.

Molecular Properties

Compound Nameethane;4-methoxy-1,2,2,6,6-pentamethylpiperidine;(1,2,2,6,6-pentamethylpiperidin-4-yl) 4-(3,5-ditert-butyl-4-hydroxyphenyl)-2-[(3,5-ditert-butylphenyl)methyl]-2-ethenylpent-4-enoate
PubChem CID143317335
Molecular FormulaC59H100N2O4
Molecular Weight901.46 g/mol
Exact Mass900.77
IUPAC Nameethane;4-methoxy-1,2,2,6,6-pentamethylpiperidine;(1,2,2,6,6-pentamethylpiperidin-4-yl) 4-(3,5-ditert-butyl-4-hydroxyphenyl)-2-[(3,5-ditert-butylphenyl)methyl]-2-ethenylpent-4-enoate
SMILESC=CC(CC(=C)c1cc(C(C)(C)C)c(O)c(C(C)(C)C)c1)(Cc1cc(C(C)(C)C)cc(C(C)(C)C)c1)C(=O)OC1CC(C)(C)N(C)C(C)(C)C1.CC.COC1CC(C)(C)N(C)C(C)(C)C1
InChIInChI=1S/C46H71NO3.C11H23NO.C2H6/c1-20-46(39(49)50-35-28-44(15,16)47(19)45(17,18)29-35,27-31-21-33(40(3,4)5)25-34(22-31)41(6,7)8)26-30(2)32-23-36(42(9,10)11)38(48)37(24-32)43(12,13)14;1-10(2)7-9(13-6)8-11(3,4)12(10)5;1-2/h20-25,35,48H,1-2,26-29H2,3-19H3;9H,7-8H2,1-6H3;1-2H3
InChIKeyCVIRNCGRAQTXII-UHFFFAOYSA-N
XLogP14.91
TPSA62.24 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds9
Heavy Atoms65
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500901.46
LogP ≤ 514.91
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

Analyze ethane;4-methoxy-1,2,2,6,6-pentamethylpiperidine;(1,2,2,6,6-pentamethylpiperidin-4-yl) 4-(3,5-ditert-butyl-4-hydroxyphenyl)-2-[(3,5-ditert-butylphenyl)methyl]-2-ethenylpent-4-enoate 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 ethane;4-methoxy-1,2,2,6,6-pentamethylpiperidine;(1,2,2,6,6-pentamethylpiperidin-4-yl) 4-(3,5-ditert-butyl-4-hydroxyphenyl)-2-[(3,5-ditert-butylphenyl)methyl]-2-ethenylpent-4-enoate?
The IUPAC name of ethane;4-methoxy-1,2,2,6,6-pentamethylpiperidine;(1,2,2,6,6-pentamethylpiperidin-4-yl) 4-(3,5-ditert-butyl-4-hydroxyphenyl)-2-[(3,5-ditert-butylphenyl)methyl]-2-ethenylpent-4-enoate (CID 143317335) is ethane;4-methoxy-1,2,2,6,6-pentamethylpiperidine;(1,2,2,6,6-pentamethylpiperidin-4-yl) 4-(3,5-ditert-butyl-4-hydroxyphenyl)-2-[(3,5-ditert-butylphenyl)methyl]-2-ethenylpent-4-enoate.
What is the SMILES notation for ethane;4-methoxy-1,2,2,6,6-pentamethylpiperidine;(1,2,2,6,6-pentamethylpiperidin-4-yl) 4-(3,5-ditert-butyl-4-hydroxyphenyl)-2-[(3,5-ditert-butylphenyl)methyl]-2-ethenylpent-4-enoate?
The canonical SMILES for ethane;4-methoxy-1,2,2,6,6-pentamethylpiperidine;(1,2,2,6,6-pentamethylpiperidin-4-yl) 4-(3,5-ditert-butyl-4-hydroxyphenyl)-2-[(3,5-ditert-butylphenyl)methyl]-2-ethenylpent-4-enoate is C=CC(CC(=C)c1cc(C(C)(C)C)c(O)c(C(C)(C)C)c1)(Cc1cc(C(C)(C)C)cc(C(C)(C)C)c1)C(=O)OC1CC(C)(C)N(C)C(C)(C)C1.CC.COC1CC(C)(C)N(C)C(C)(C)C1.
What is the InChIKey of ethane;4-methoxy-1,2,2,6,6-pentamethylpiperidine;(1,2,2,6,6-pentamethylpiperidin-4-yl) 4-(3,5-ditert-butyl-4-hydroxyphenyl)-2-[(3,5-ditert-butylphenyl)methyl]-2-ethenylpent-4-enoate?
The InChIKey is CVIRNCGRAQTXII-UHFFFAOYSA-N. The full InChI is InChI=1S/C46H71NO3.C11H23NO.C2H6/c1-20-46(39(49)50-35-28-44(15,16)47(19)45(17,18)29-35,27-31-21-33(40(3,4)5)25-34(22-31)41(6,7)8)26-30(2)32-23-36(42(9,10)11)38(48)37(24-32)43(12,13)14;1-10(2)7-9(13-6)8-11(3,4)12(10)5;1-2/h20-25,35,48H,1-2,26-29H2,3-19H3;9H,7-8H2,1-6H3;1-2H3.
What are the key properties of ethane;4-methoxy-1,2,2,6,6-pentamethylpiperidine;(1,2,2,6,6-pentamethylpiperidin-4-yl) 4-(3,5-ditert-butyl-4-hydroxyphenyl)-2-[(3,5-ditert-butylphenyl)methyl]-2-ethenylpent-4-enoate?
ethane;4-methoxy-1,2,2,6,6-pentamethylpiperidine;(1,2,2,6,6-pentamethylpiperidin-4-yl) 4-(3,5-ditert-butyl-4-hydroxyphenyl)-2-[(3,5-ditert-butylphenyl)methyl]-2-ethenylpent-4-enoate has a molecular weight of 901.46 g/mol, XLogP of 14.91, 9 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for ethane;4-methoxy-1,2,2,6,6-pentamethylpiperidine;(1,2,2,6,6-pentamethylpiperidin-4-yl) 4-(3,5-ditert-butyl-4-hydroxyphenyl)-2-[(3,5-ditert-butylphenyl)methyl]-2-ethenylpent-4-enoate is sourced from PubChem (CID 143317335), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).