[7-(2-fluoro-4-prop-2-enoyloxybenzoyl)oxy-9,9-dimethylfluoren-2-yl] 2-fluoro-4-(6-prop-2-enoyloxyhexoxy)benzoate;[2-methyl-4-(4-prop-2-enoyloxybenzoyl)oxyphenyl] 4-(6-prop-2-enoyloxyhexoxy)benzoate;bis(1-propoxypropane)

C86H96F2O20 — CID 158957364

About [7-(2-fluoro-4-prop-2-enoyloxybenzoyl)oxy-9,9-dimethylfluoren-2-yl] 2-fluoro-4-(6-prop-2-enoyloxyhexoxy)benzoate;[2-methyl-4-(4-prop-2-enoyloxybenzoyl)oxyphenyl] 4-(6-prop-2-enoyloxyhexoxy)benzoate;bis(1-propoxypropane)

[7-(2-fluoro-4-prop-2-enoyloxybenzoyl)oxy-9,9-dimethylfluoren-2-yl] 2-fluoro-4-(6-prop-2-enoyloxyhexoxy)benzoate;[2-methyl-4-(4-prop-2-enoyloxybenzoyl)oxyphenyl] 4-(6-prop-2-enoyloxyhexoxy)benzoate;bis(1-propoxypropane) (PubChem CID 158957364) has the molecular formula C86H96F2O20 and a molecular weight of 1487.69 g/mol. Its IUPAC name is [7-(2-fluoro-4-prop-2-enoyloxybenzoyl)oxy-9,9-dimethylfluoren-2-yl] 2-fluoro-4-(6-prop-2-enoyloxyhexoxy)benzoate;[2-methyl-4-(4-prop-2-enoyloxybenzoyl)oxyphenyl] 4-(6-prop-2-enoyloxyhexoxy)benzoate;bis(1-propoxypropane).

Molecular Properties

• Compound Name: [7-(2-fluoro-4-prop-2-enoyloxybenzoyl)oxy-9,9-dimethylfluoren-2-yl] 2-fluoro-4-(6-prop-2-enoyloxyhexoxy)benzoate;[2-methyl-4-(4-prop-2-enoyloxybenzoyl)oxyphenyl] 4-(6-prop-2-enoyloxyhexoxy)benzoate;bis(1-propoxypropane)
• PubChem CID: 158957364
• Molecular Formula: C86H96F2O20
• Molecular Weight: 1487.69 g/mol
• Exact Mass: 1486.65
• IUPAC Name: [7-(2-fluoro-4-prop-2-enoyloxybenzoyl)oxy-9,9-dimethylfluoren-2-yl] 2-fluoro-4-(6-prop-2-enoyloxyhexoxy)benzoate;[2-methyl-4-(4-prop-2-enoyloxybenzoyl)oxyphenyl] 4-(6-prop-2-enoyloxyhexoxy)benzoate;bis(1-propoxypropane)
• SMILES: C=CC(=O)OCCCCCCOc1ccc(C(=O)Oc2ccc(OC(=O)c3ccc(OC(=O)C=C)cc3)cc2C)cc1.C=CC(=O)OCCCCCCOc1ccc(C(=O)Oc2ccc3c(c2)C(C)(C)c2cc(OC(=O)c4ccc(OC(=O)C=C)cc4F)ccc2-3)c(F)c1.CCCOCCC.CCCOCCC
• InChI: InChI=1S/C41H36F2O9.C33H32O9.2C6H14O/c1-5-37(44)49-20-10-8-7-9-19-48-25-11-17-31(35(42)23-25)39(46)51-26-12-15-29-30-16-13-27(22-34(30)41(3,4)33(29)21-26)52-40(47)32-18-14-28(24-36(32)43)50-38(45)6-2;1-4-30(34)39-21-9-7-6-8-20-38-26-14-10-25(11-15-26)33(37)42-29-19-18-28(22-23(29)3)41-32(36)24-12-16-27(17-13-24)40-31(35)5-2;2*1-3-5-7-6-4-2/h5-6,11-18,21-24H,1-2,7-10,19-20H2,3-4H3;4-5,10-19,22H,1-2,6-9,20-21H2,3H3;2*3-6H2,1-2H3
• InChIKey: JMEFBFLRKLERIE-UHFFFAOYSA-N
• XLogP: 18.31
• TPSA: 247.32 Ų
• H-Bond Acceptors: 20
• Rotatable Bonds: 38
• Heavy Atoms: 108
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	1487.69
LogP ≤ 5	18.31
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	20

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of [7-(2-fluoro-4-prop-2-enoyloxybenzoyl)oxy-9,9-dimethylfluoren-2-yl] 2-fluoro-4-(6-prop-2-enoyloxyhexoxy)benzoate;[2-methyl-4-(4-prop-2-enoyloxybenzoyl)oxyphenyl] 4-(6-prop-2-enoyloxyhexoxy)benzoate;bis(1-propoxypropane)?

The IUPAC name of [7-(2-fluoro-4-prop-2-enoyloxybenzoyl)oxy-9,9-dimethylfluoren-2-yl] 2-fluoro-4-(6-prop-2-enoyloxyhexoxy)benzoate;[2-methyl-4-(4-prop-2-enoyloxybenzoyl)oxyphenyl] 4-(6-prop-2-enoyloxyhexoxy)benzoate;bis(1-propoxypropane) (CID 158957364) is [7-(2-fluoro-4-prop-2-enoyloxybenzoyl)oxy-9,9-dimethylfluoren-2-yl] 2-fluoro-4-(6-prop-2-enoyloxyhexoxy)benzoate;[2-methyl-4-(4-prop-2-enoyloxybenzoyl)oxyphenyl] 4-(6-prop-2-enoyloxyhexoxy)benzoate;bis(1-propoxypropane).

What is the SMILES notation for [7-(2-fluoro-4-prop-2-enoyloxybenzoyl)oxy-9,9-dimethylfluoren-2-yl] 2-fluoro-4-(6-prop-2-enoyloxyhexoxy)benzoate;[2-methyl-4-(4-prop-2-enoyloxybenzoyl)oxyphenyl] 4-(6-prop-2-enoyloxyhexoxy)benzoate;bis(1-propoxypropane)?

The canonical SMILES for [7-(2-fluoro-4-prop-2-enoyloxybenzoyl)oxy-9,9-dimethylfluoren-2-yl] 2-fluoro-4-(6-prop-2-enoyloxyhexoxy)benzoate;[2-methyl-4-(4-prop-2-enoyloxybenzoyl)oxyphenyl] 4-(6-prop-2-enoyloxyhexoxy)benzoate;bis(1-propoxypropane) is C=CC(=O)OCCCCCCOc1ccc(C(=O)Oc2ccc(OC(=O)c3ccc(OC(=O)C=C)cc3)cc2C)cc1.C=CC(=O)OCCCCCCOc1ccc(C(=O)Oc2ccc3c(c2)C(C)(C)c2cc(OC(=O)c4ccc(OC(=O)C=C)cc4F)ccc2-3)c(F)c1.CCCOCCC.CCCOCCC.

What is the InChIKey of [7-(2-fluoro-4-prop-2-enoyloxybenzoyl)oxy-9,9-dimethylfluoren-2-yl] 2-fluoro-4-(6-prop-2-enoyloxyhexoxy)benzoate;[2-methyl-4-(4-prop-2-enoyloxybenzoyl)oxyphenyl] 4-(6-prop-2-enoyloxyhexoxy)benzoate;bis(1-propoxypropane)?

The InChIKey is JMEFBFLRKLERIE-UHFFFAOYSA-N. The full InChI is InChI=1S/C41H36F2O9.C33H32O9.2C6H14O/c1-5-37(44)49-20-10-8-7-9-19-48-25-11-17-31(35(42)23-25)39(46)51-26-12-15-29-30-16-13-27(22-34(30)41(3,4)33(29)21-26)52-40(47)32-18-14-28(24-36(32)43)50-38(45)6-2;1-4-30(34)39-21-9-7-6-8-20-38-26-14-10-25(11-15-26)33(37)42-29-19-18-28(22-23(29)3)41-32(36)24-12-16-27(17-13-24)40-31(35)5-2;2*1-3-5-7-6-4-2/h5-6,11-18,21-24H,1-2,7-10,19-20H2,3-4H3;4-5,10-19,22H,1-2,6-9,20-21H2,3H3;2*3-6H2,1-2H3.

What are the key properties of [7-(2-fluoro-4-prop-2-enoyloxybenzoyl)oxy-9,9-dimethylfluoren-2-yl] 2-fluoro-4-(6-prop-2-enoyloxyhexoxy)benzoate;[2-methyl-4-(4-prop-2-enoyloxybenzoyl)oxyphenyl] 4-(6-prop-2-enoyloxyhexoxy)benzoate;bis(1-propoxypropane)?

[7-(2-fluoro-4-prop-2-enoyloxybenzoyl)oxy-9,9-dimethylfluoren-2-yl] 2-fluoro-4-(6-prop-2-enoyloxyhexoxy)benzoate;[2-methyl-4-(4-prop-2-enoyloxybenzoyl)oxyphenyl] 4-(6-prop-2-enoyloxyhexoxy)benzoate;bis(1-propoxypropane) has a molecular weight of 1487.69 g/mol, XLogP of 18.31, 38 rotatable bonds, 0 hydrogen bond donors, and 20 hydrogen bond acceptors.

Where does this data come from?

All data for [7-(2-fluoro-4-prop-2-enoyloxybenzoyl)oxy-9,9-dimethylfluoren-2-yl] 2-fluoro-4-(6-prop-2-enoyloxyhexoxy)benzoate;[2-methyl-4-(4-prop-2-enoyloxybenzoyl)oxyphenyl] 4-(6-prop-2-enoyloxyhexoxy)benzoate;bis(1-propoxypropane) is sourced from PubChem (CID 158957364), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).