2-[2-[4-[9-[3,4-bis[2-[2-(2-methylprop-2-enoyloxy)ethoxy]ethoxy]phenyl]fluoren-9-yl]-2-[2-[2-(2-methylprop-2-enoyloxy)ethoxy]ethoxy]phenoxy]ethoxy]ethyl 2-methylpropanoate

C57H68O16 — CID 134472255

IUPAC2-[2-[4-[9-[3,4-bis[2-[2-(2-methylprop-2-enoyloxy)ethoxy]ethoxy]phenyl]fluoren-9-yl]-2-[2-[2-(2-methylprop-2-enoyloxy)ethoxy]ethoxy]phenoxy]ethoxy]ethyl 2-methylpropanoate
SMILESC=C(C)C(=O)OCCOCCOc1ccc(C2(c3ccc(OCCOCCOC(=O)C(C)C)c(OCCOCCOC(=O)C(=C)C)c3)c3ccccc3-c3ccccc32)cc1OCCOCCOC(=O)C(=C)C
InChIInChI=1S/C57H68O16/c1-39(2)53(58)70-33-25-62-21-29-66-49-19-17-43(37-51(49)68-31-23-64-27-35-72-55(60)41(5)6)57(47-15-11-9-13-45(47)46-14-10-12-16-48(46)57)44-18-20-50(67-30-22-63-26-34-71-54(59)40(3)4)52(38-44)69-32-24-65-28-36-73-56(61)42(7)8/h9-20,37-38,40H,1,5,7,21-36H2,2-4,6,8H3
InChIKeyRAHLQKJZBXMYPV-UHFFFAOYSA-N
MW1009.15 g/mol
LogP8.19
Rot. Bonds34

About 2-[2-[4-[9-[3,4-bis[2-[2-(2-methylprop-2-enoyloxy)ethoxy]ethoxy]phenyl]fluoren-9-yl]-2-[2-[2-(2-methylprop-2-enoyloxy)ethoxy]ethoxy]phenoxy]ethoxy]ethyl 2-methylpropanoate

2-[2-[4-[9-[3,4-bis[2-[2-(2-methylprop-2-enoyloxy)ethoxy]ethoxy]phenyl]fluoren-9-yl]-2-[2-[2-(2-methylprop-2-enoyloxy)ethoxy]ethoxy]phenoxy]ethoxy]ethyl 2-methylpropanoate (PubChem CID 134472255) has the molecular formula C57H68O16 and a molecular weight of 1009.15 g/mol. Its IUPAC name is 2-[2-[4-[9-[3,4-bis[2-[2-(2-methylprop-2-enoyloxy)ethoxy]ethoxy]phenyl]fluoren-9-yl]-2-[2-[2-(2-methylprop-2-enoyloxy)ethoxy]ethoxy]phenoxy]ethoxy]ethyl 2-methylpropanoate.

Molecular Properties

Compound Name2-[2-[4-[9-[3,4-bis[2-[2-(2-methylprop-2-enoyloxy)ethoxy]ethoxy]phenyl]fluoren-9-yl]-2-[2-[2-(2-methylprop-2-enoyloxy)ethoxy]ethoxy]phenoxy]ethoxy]ethyl 2-methylpropanoate
PubChem CID134472255
Molecular FormulaC57H68O16
Molecular Weight1009.15 g/mol
Exact Mass1008.45
IUPAC Name2-[2-[4-[9-[3,4-bis[2-[2-(2-methylprop-2-enoyloxy)ethoxy]ethoxy]phenyl]fluoren-9-yl]-2-[2-[2-(2-methylprop-2-enoyloxy)ethoxy]ethoxy]phenoxy]ethoxy]ethyl 2-methylpropanoate
SMILESC=C(C)C(=O)OCCOCCOc1ccc(C2(c3ccc(OCCOCCOC(=O)C(C)C)c(OCCOCCOC(=O)C(=C)C)c3)c3ccccc3-c3ccccc32)cc1OCCOCCOC(=O)C(=C)C
InChIInChI=1S/C57H68O16/c1-39(2)53(58)70-33-25-62-21-29-66-49-19-17-43(37-51(49)68-31-23-64-27-35-72-55(60)41(5)6)57(47-15-11-9-13-45(47)46-14-10-12-16-48(46)57)44-18-20-50(67-30-22-63-26-34-71-54(59)40(3)4)52(38-44)69-32-24-65-28-36-73-56(61)42(7)8/h9-20,37-38,40H,1,5,7,21-36H2,2-4,6,8H3
InChIKeyRAHLQKJZBXMYPV-UHFFFAOYSA-N
XLogP8.19
TPSA179.04 Ų
H-Bond Donors
H-Bond Acceptors16
Rotatable Bonds34
Heavy Atoms73
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5001009.15
LogP ≤ 58.19
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 1016

Computed Properties (RDKit)

Structural Alerts{'alert_name': '>_2_ester_groups', 'substructure': 'N/A'}, {'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}

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Related Compounds

2-[2-[4-[9-[3,4-bis[2-[2-(2-methylprop-2-enoyloxy)ethoxy]ethoxy]phenyl]fluoren-9-yl]-2-[2-[2-(2-methylprop-2-enoyloxy)ethoxy]ethoxy]phenoxy]ethoxy]ethyl 2-methylprop-2-enoate
CID 129265954
[2-hydroxy-3-[2-[4-[9-[4-[2-[2-hydroxy-3-(2-methylprop-2-enoyloxy)propoxy]ethoxy]-3,5-dimethylphenyl]fluoren-9-yl]-2,6-dimethylphenoxy]ethoxy]propyl] 2-methylprop-2-enoate
CID 156762586
2-[2-[4-(9-phenylfluoren-9-yl)phenoxy]ethoxycarbonylamino]ethyl 2-methylprop-2-enoate
CID 135250995
2-[2-[2-[2-(2-phenoxyethoxy)ethoxy]ethoxy]ethoxy]ethyl 2-methylprop-2-enoate
CID 21252575
2-[4-fluoro-2-[2-(2-methylprop-2-enoyloxy)ethoxy]-5-[4-(2-methylprop-2-enoyloxy)phenyl]phenoxy]ethyl 2-methylpropanoate
CID 130254216
2-[2-[3-[2-[2-(2-methylprop-2-enoyloxy)ethoxy]ethoxy]phenoxy]ethoxy]ethyl 2-methylprop-2-enoate
CID 118333861
2-[4-[[4-[2-(2-methylprop-2-enoyloxy)ethoxy]phenyl]-diphenylmethyl]phenoxy]ethyl 2-methylpropanoate
CID 134385835
2-[4-[9-[3,4-bis(2-prop-2-enoyloxyethoxy)phenyl]fluoren-9-yl]-2-(2-prop-2-enoyloxyethoxy)phenoxy]ethyl prop-2-enoate;[3-[2-[4-[9-[4-[2-[2,3-di(prop-2-enoyloxy)propoxy]ethoxy]phenyl]fluoren-9-yl]phenoxy]ethoxy]-2-prop-2-enoyloxypropyl] prop-2-enoate;[2-hydroxy-3-[2-[4-[9-[4-[2-(2-hydroxy-3-prop-2-enoyloxypropoxy)ethoxy]phenyl]fluoren-9-yl]phenoxy]ethoxy]propyl] prop-2-enoate;2-[4-[9-[4-(2-prop-2-enoyloxyethoxy)phenyl]fluoren-9-yl]phenoxy]ethyl prop-2-enoate
CID 162097512
2-[2-(2-methylprop-2-enoyloxy)ethoxy]ethyl 2-[3-(2-methylprop-2-enoyloxy)propoxy]benzoate
CID 118333772
2-(2-methylprop-2-enoyloxy)ethyl 2-methyl-3-[11-[2-methyl-3-[2-(2-methylprop-2-enoyloxy)ethoxy]-3-oxopropyl]benzo[b]fluoren-11-yl]propanoate
CID 168800282
2-[2-[4-[9-[4-[2-(2-prop-2-enoyloxyethoxy)ethoxy]phenyl]fluoren-9-yl]phenoxy]ethoxy]ethyl prop-2-enoate
CID 59702760
2-[4-[9-[4-(2-methoxyethoxy)-3-phenylphenyl]fluoren-9-yl]-2-phenylphenoxy]ethanol
CID 146666746

Frequently Asked Questions

What is the IUPAC name of 2-[2-[4-[9-[3,4-bis[2-[2-(2-methylprop-2-enoyloxy)ethoxy]ethoxy]phenyl]fluoren-9-yl]-2-[2-[2-(2-methylprop-2-enoyloxy)ethoxy]ethoxy]phenoxy]ethoxy]ethyl 2-methylpropanoate?
The IUPAC name of 2-[2-[4-[9-[3,4-bis[2-[2-(2-methylprop-2-enoyloxy)ethoxy]ethoxy]phenyl]fluoren-9-yl]-2-[2-[2-(2-methylprop-2-enoyloxy)ethoxy]ethoxy]phenoxy]ethoxy]ethyl 2-methylpropanoate (CID 134472255) is 2-[2-[4-[9-[3,4-bis[2-[2-(2-methylprop-2-enoyloxy)ethoxy]ethoxy]phenyl]fluoren-9-yl]-2-[2-[2-(2-methylprop-2-enoyloxy)ethoxy]ethoxy]phenoxy]ethoxy]ethyl 2-methylpropanoate.
What is the SMILES notation for 2-[2-[4-[9-[3,4-bis[2-[2-(2-methylprop-2-enoyloxy)ethoxy]ethoxy]phenyl]fluoren-9-yl]-2-[2-[2-(2-methylprop-2-enoyloxy)ethoxy]ethoxy]phenoxy]ethoxy]ethyl 2-methylpropanoate?
The canonical SMILES for 2-[2-[4-[9-[3,4-bis[2-[2-(2-methylprop-2-enoyloxy)ethoxy]ethoxy]phenyl]fluoren-9-yl]-2-[2-[2-(2-methylprop-2-enoyloxy)ethoxy]ethoxy]phenoxy]ethoxy]ethyl 2-methylpropanoate is C=C(C)C(=O)OCCOCCOc1ccc(C2(c3ccc(OCCOCCOC(=O)C(C)C)c(OCCOCCOC(=O)C(=C)C)c3)c3ccccc3-c3ccccc32)cc1OCCOCCOC(=O)C(=C)C.
What is the InChIKey of 2-[2-[4-[9-[3,4-bis[2-[2-(2-methylprop-2-enoyloxy)ethoxy]ethoxy]phenyl]fluoren-9-yl]-2-[2-[2-(2-methylprop-2-enoyloxy)ethoxy]ethoxy]phenoxy]ethoxy]ethyl 2-methylpropanoate?
The InChIKey is RAHLQKJZBXMYPV-UHFFFAOYSA-N. The full InChI is InChI=1S/C57H68O16/c1-39(2)53(58)70-33-25-62-21-29-66-49-19-17-43(37-51(49)68-31-23-64-27-35-72-55(60)41(5)6)57(47-15-11-9-13-45(47)46-14-10-12-16-48(46)57)44-18-20-50(67-30-22-63-26-34-71-54(59)40(3)4)52(38-44)69-32-24-65-28-36-73-56(61)42(7)8/h9-20,37-38,40H,1,5,7,21-36H2,2-4,6,8H3.
What are the key properties of 2-[2-[4-[9-[3,4-bis[2-[2-(2-methylprop-2-enoyloxy)ethoxy]ethoxy]phenyl]fluoren-9-yl]-2-[2-[2-(2-methylprop-2-enoyloxy)ethoxy]ethoxy]phenoxy]ethoxy]ethyl 2-methylpropanoate?
2-[2-[4-[9-[3,4-bis[2-[2-(2-methylprop-2-enoyloxy)ethoxy]ethoxy]phenyl]fluoren-9-yl]-2-[2-[2-(2-methylprop-2-enoyloxy)ethoxy]ethoxy]phenoxy]ethoxy]ethyl 2-methylpropanoate has a molecular weight of 1009.15 g/mol, XLogP of 8.19, 34 rotatable bonds, 0 hydrogen bond donors, and 16 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-[4-[9-[3,4-bis[2-[2-(2-methylprop-2-enoyloxy)ethoxy]ethoxy]phenyl]fluoren-9-yl]-2-[2-[2-(2-methylprop-2-enoyloxy)ethoxy]ethoxy]phenoxy]ethoxy]ethyl 2-methylpropanoate is sourced from PubChem (CID 134472255), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).