[2,4-dimethyl-4-(4-methylphenoxy)pentan-2-yl] prop-2-enoate;formaldehyde;2-(3-methanimidoyl-4-methoxyphenyl)ethyl 4-(4-methoxy-2,4-dimethylpentan-2-yl)oxybenzoate;4-naphthalen-2-yl-1,3-thiazol-2-amine;prop-2-enal

C59H73N3O10S — CID 142364118

About [2,4-dimethyl-4-(4-methylphenoxy)pentan-2-yl] prop-2-enoate;formaldehyde;2-(3-methanimidoyl-4-methoxyphenyl)ethyl 4-(4-methoxy-2,4-dimethylpentan-2-yl)oxybenzoate;4-naphthalen-2-yl-1,3-thiazol-2-amine;prop-2-enal

[2,4-dimethyl-4-(4-methylphenoxy)pentan-2-yl] prop-2-enoate;formaldehyde;2-(3-methanimidoyl-4-methoxyphenyl)ethyl 4-(4-methoxy-2,4-dimethylpentan-2-yl)oxybenzoate;4-naphthalen-2-yl-1,3-thiazol-2-amine;prop-2-enal (PubChem CID 142364118) has the molecular formula C59H73N3O10S and a molecular weight of 1016.31 g/mol. Its IUPAC name is [2,4-dimethyl-4-(4-methylphenoxy)pentan-2-yl] prop-2-enoate;formaldehyde;2-(3-methanimidoyl-4-methoxyphenyl)ethyl 4-(4-methoxy-2,4-dimethylpentan-2-yl)oxybenzoate;4-naphthalen-2-yl-1,3-thiazol-2-amine;prop-2-enal.

Molecular Properties

• Compound Name: [2,4-dimethyl-4-(4-methylphenoxy)pentan-2-yl] prop-2-enoate;formaldehyde;2-(3-methanimidoyl-4-methoxyphenyl)ethyl 4-(4-methoxy-2,4-dimethylpentan-2-yl)oxybenzoate;4-naphthalen-2-yl-1,3-thiazol-2-amine;prop-2-enal
• PubChem CID: 142364118
• Molecular Formula: C59H73N3O10S
• Molecular Weight: 1016.31 g/mol
• Exact Mass: 1015.50
• IUPAC Name: [2,4-dimethyl-4-(4-methylphenoxy)pentan-2-yl] prop-2-enoate;formaldehyde;2-(3-methanimidoyl-4-methoxyphenyl)ethyl 4-(4-methoxy-2,4-dimethylpentan-2-yl)oxybenzoate;4-naphthalen-2-yl-1,3-thiazol-2-amine;prop-2-enal
• SMILES: C=CC(=O)OC(C)(C)CC(C)(C)Oc1ccc(C)cc1.C=CC=O.C=O.Nc1nc(-c2ccc3ccccc3c2)cs1.[H]/N=C/c1cc(CCOC(=O)c2ccc(OC(C)(C)CC(C)(C)OC)cc2)ccc1OC
• InChI: InChI=1S/C25H33NO5.C17H24O3.C13H10N2S.C3H4O.CH2O/c1-24(2,29-6)17-25(3,4)31-21-10-8-19(9-11-21)23(27)30-14-13-18-7-12-22(28-5)20(15-18)16-26;1-7-15(18)20-17(5,6)12-16(3,4)19-14-10-8-13(2)9-11-14;14-13-15-12(8-16-13)11-6-5-9-3-1-2-4-10(9)7-11;1-2-3-4;1-2/h7-12,15-16,26H,13-14,17H2,1-6H3;7-11H,1,12H2,2-6H3;1-8H,(H2,14,15);2-3H,1H2;1H2/b26-16+
• InChIKey: DYLZOVXKBKDBGT-CKGADALWSA-N
• XLogP: 12.85
• TPSA: 186.42 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 14
• Rotatable Bonds: 19
• Heavy Atoms: 73
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	1016.31
LogP ≤ 5	12.85
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	14

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': 'aldehyde', 'substructure': 'N/A'}, {'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of [2,4-dimethyl-4-(4-methylphenoxy)pentan-2-yl] prop-2-enoate;formaldehyde;2-(3-methanimidoyl-4-methoxyphenyl)ethyl 4-(4-methoxy-2,4-dimethylpentan-2-yl)oxybenzoate;4-naphthalen-2-yl-1,3-thiazol-2-amine;prop-2-enal?

The IUPAC name of [2,4-dimethyl-4-(4-methylphenoxy)pentan-2-yl] prop-2-enoate;formaldehyde;2-(3-methanimidoyl-4-methoxyphenyl)ethyl 4-(4-methoxy-2,4-dimethylpentan-2-yl)oxybenzoate;4-naphthalen-2-yl-1,3-thiazol-2-amine;prop-2-enal (CID 142364118) is [2,4-dimethyl-4-(4-methylphenoxy)pentan-2-yl] prop-2-enoate;formaldehyde;2-(3-methanimidoyl-4-methoxyphenyl)ethyl 4-(4-methoxy-2,4-dimethylpentan-2-yl)oxybenzoate;4-naphthalen-2-yl-1,3-thiazol-2-amine;prop-2-enal.

What is the SMILES notation for [2,4-dimethyl-4-(4-methylphenoxy)pentan-2-yl] prop-2-enoate;formaldehyde;2-(3-methanimidoyl-4-methoxyphenyl)ethyl 4-(4-methoxy-2,4-dimethylpentan-2-yl)oxybenzoate;4-naphthalen-2-yl-1,3-thiazol-2-amine;prop-2-enal?

The canonical SMILES for [2,4-dimethyl-4-(4-methylphenoxy)pentan-2-yl] prop-2-enoate;formaldehyde;2-(3-methanimidoyl-4-methoxyphenyl)ethyl 4-(4-methoxy-2,4-dimethylpentan-2-yl)oxybenzoate;4-naphthalen-2-yl-1,3-thiazol-2-amine;prop-2-enal is C=CC(=O)OC(C)(C)CC(C)(C)Oc1ccc(C)cc1.C=CC=O.C=O.Nc1nc(-c2ccc3ccccc3c2)cs1.[H]/N=C/c1cc(CCOC(=O)c2ccc(OC(C)(C)CC(C)(C)OC)cc2)ccc1OC.

What is the InChIKey of [2,4-dimethyl-4-(4-methylphenoxy)pentan-2-yl] prop-2-enoate;formaldehyde;2-(3-methanimidoyl-4-methoxyphenyl)ethyl 4-(4-methoxy-2,4-dimethylpentan-2-yl)oxybenzoate;4-naphthalen-2-yl-1,3-thiazol-2-amine;prop-2-enal?

The InChIKey is DYLZOVXKBKDBGT-CKGADALWSA-N. The full InChI is InChI=1S/C25H33NO5.C17H24O3.C13H10N2S.C3H4O.CH2O/c1-24(2,29-6)17-25(3,4)31-21-10-8-19(9-11-21)23(27)30-14-13-18-7-12-22(28-5)20(15-18)16-26;1-7-15(18)20-17(5,6)12-16(3,4)19-14-10-8-13(2)9-11-14;14-13-15-12(8-16-13)11-6-5-9-3-1-2-4-10(9)7-11;1-2-3-4;1-2/h7-12,15-16,26H,13-14,17H2,1-6H3;7-11H,1,12H2,2-6H3;1-8H,(H2,14,15);2-3H,1H2;1H2/b26-16+;;;;.

What are the key properties of [2,4-dimethyl-4-(4-methylphenoxy)pentan-2-yl] prop-2-enoate;formaldehyde;2-(3-methanimidoyl-4-methoxyphenyl)ethyl 4-(4-methoxy-2,4-dimethylpentan-2-yl)oxybenzoate;4-naphthalen-2-yl-1,3-thiazol-2-amine;prop-2-enal?

[2,4-dimethyl-4-(4-methylphenoxy)pentan-2-yl] prop-2-enoate;formaldehyde;2-(3-methanimidoyl-4-methoxyphenyl)ethyl 4-(4-methoxy-2,4-dimethylpentan-2-yl)oxybenzoate;4-naphthalen-2-yl-1,3-thiazol-2-amine;prop-2-enal has a molecular weight of 1016.31 g/mol, XLogP of 12.85, 19 rotatable bonds, 2 hydrogen bond donors, and 14 hydrogen bond acceptors.

Where does this data come from?

All data for [2,4-dimethyl-4-(4-methylphenoxy)pentan-2-yl] prop-2-enoate;formaldehyde;2-(3-methanimidoyl-4-methoxyphenyl)ethyl 4-(4-methoxy-2,4-dimethylpentan-2-yl)oxybenzoate;4-naphthalen-2-yl-1,3-thiazol-2-amine;prop-2-enal is sourced from PubChem (CID 142364118), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).