3-[4-[4-[4-[2-[2-(methoxymethyl)prop-2-enoyloxy]ethoxy]-3-[4-(4-propylcyclohexyl)cyclohexyl]phenyl]phenyl]phenyl]propyl 2-(methoxymethyl)prop-2-enoate

C48H62O7 — CID 146668073

About 3-[4-[4-[4-[2-[2-(methoxymethyl)prop-2-enoyloxy]ethoxy]-3-[4-(4-propylcyclohexyl)cyclohexyl]phenyl]phenyl]phenyl]propyl 2-(methoxymethyl)prop-2-enoate

3-[4-[4-[4-[2-[2-(methoxymethyl)prop-2-enoyloxy]ethoxy]-3-[4-(4-propylcyclohexyl)cyclohexyl]phenyl]phenyl]phenyl]propyl 2-(methoxymethyl)prop-2-enoate (PubChem CID 146668073) has the molecular formula C48H62O7 and a molecular weight of 751.02 g/mol. Its IUPAC name is 3-[4-[4-[4-[2-[2-(methoxymethyl)prop-2-enoyloxy]ethoxy]-3-[4-(4-propylcyclohexyl)cyclohexyl]phenyl]phenyl]phenyl]propyl 2-(methoxymethyl)prop-2-enoate.

Molecular Properties

• Compound Name: 3-[4-[4-[4-[2-[2-(methoxymethyl)prop-2-enoyloxy]ethoxy]-3-[4-(4-propylcyclohexyl)cyclohexyl]phenyl]phenyl]phenyl]propyl 2-(methoxymethyl)prop-2-enoate
• PubChem CID: 146668073
• Molecular Formula: C48H62O7
• Molecular Weight: 751.02 g/mol
• Exact Mass: 750.45
• IUPAC Name: 3-[4-[4-[4-[2-[2-(methoxymethyl)prop-2-enoyloxy]ethoxy]-3-[4-(4-propylcyclohexyl)cyclohexyl]phenyl]phenyl]phenyl]propyl 2-(methoxymethyl)prop-2-enoate
• SMILES: C=C(COC)C(=O)OCCCc1ccc(-c2ccc(-c3ccc(OCCOC(=O)C(=C)COC)c(C4CCC(C5CCC(CCC)CC5)CC4)c3)cc2)cc1
• InChI: InChI=1S/C48H62O7/c1-6-8-36-10-14-38(15-11-36)41-22-24-43(25-23-41)45-31-44(26-27-46(45)53-29-30-55-48(50)35(3)33-52-5)42-20-18-40(19-21-42)39-16-12-37(13-17-39)9-7-28-54-47(49)34(2)32-51-4/h12-13,16-21,26-27,31,36,38,41,43H,2-3,6-11,14-15,22-25,28-30,32-33H2,1,4-5H3
• InChIKey: YEDDQLNNYNANRG-UHFFFAOYSA-N
• XLogP: 10.70
• TPSA: 80.29 Ų
• H-Bond Acceptors: 7
• Rotatable Bonds: 20
• Heavy Atoms: 55
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	751.02
LogP ≤ 5	10.70
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	7

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of 3-[4-[4-[4-[2-[2-(methoxymethyl)prop-2-enoyloxy]ethoxy]-3-[4-(4-propylcyclohexyl)cyclohexyl]phenyl]phenyl]phenyl]propyl 2-(methoxymethyl)prop-2-enoate?

The IUPAC name of 3-[4-[4-[4-[2-[2-(methoxymethyl)prop-2-enoyloxy]ethoxy]-3-[4-(4-propylcyclohexyl)cyclohexyl]phenyl]phenyl]phenyl]propyl 2-(methoxymethyl)prop-2-enoate (CID 146668073) is 3-[4-[4-[4-[2-[2-(methoxymethyl)prop-2-enoyloxy]ethoxy]-3-[4-(4-propylcyclohexyl)cyclohexyl]phenyl]phenyl]phenyl]propyl 2-(methoxymethyl)prop-2-enoate.

What is the SMILES notation for 3-[4-[4-[4-[2-[2-(methoxymethyl)prop-2-enoyloxy]ethoxy]-3-[4-(4-propylcyclohexyl)cyclohexyl]phenyl]phenyl]phenyl]propyl 2-(methoxymethyl)prop-2-enoate?

The canonical SMILES for 3-[4-[4-[4-[2-[2-(methoxymethyl)prop-2-enoyloxy]ethoxy]-3-[4-(4-propylcyclohexyl)cyclohexyl]phenyl]phenyl]phenyl]propyl 2-(methoxymethyl)prop-2-enoate is C=C(COC)C(=O)OCCCc1ccc(-c2ccc(-c3ccc(OCCOC(=O)C(=C)COC)c(C4CCC(C5CCC(CCC)CC5)CC4)c3)cc2)cc1.

What is the InChIKey of 3-[4-[4-[4-[2-[2-(methoxymethyl)prop-2-enoyloxy]ethoxy]-3-[4-(4-propylcyclohexyl)cyclohexyl]phenyl]phenyl]phenyl]propyl 2-(methoxymethyl)prop-2-enoate?

The InChIKey is YEDDQLNNYNANRG-UHFFFAOYSA-N. The full InChI is InChI=1S/C48H62O7/c1-6-8-36-10-14-38(15-11-36)41-22-24-43(25-23-41)45-31-44(26-27-46(45)53-29-30-55-48(50)35(3)33-52-5)42-20-18-40(19-21-42)39-16-12-37(13-17-39)9-7-28-54-47(49)34(2)32-51-4/h12-13,16-21,26-27,31,36,38,41,43H,2-3,6-11,14-15,22-25,28-30,32-33H2,1,4-5H3.

What are the key properties of 3-[4-[4-[4-[2-[2-(methoxymethyl)prop-2-enoyloxy]ethoxy]-3-[4-(4-propylcyclohexyl)cyclohexyl]phenyl]phenyl]phenyl]propyl 2-(methoxymethyl)prop-2-enoate?

3-[4-[4-[4-[2-[2-(methoxymethyl)prop-2-enoyloxy]ethoxy]-3-[4-(4-propylcyclohexyl)cyclohexyl]phenyl]phenyl]phenyl]propyl 2-(methoxymethyl)prop-2-enoate has a molecular weight of 751.02 g/mol, XLogP of 10.70, 20 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.

Where does this data come from?

All data for 3-[4-[4-[4-[2-[2-(methoxymethyl)prop-2-enoyloxy]ethoxy]-3-[4-(4-propylcyclohexyl)cyclohexyl]phenyl]phenyl]phenyl]propyl 2-(methoxymethyl)prop-2-enoate is sourced from PubChem (CID 146668073), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).