diethyl 1,10-bis(9H-fluoren-9-ylmethoxycarbonylamino)cyclooctadeca-5,14-diene-1,10-dicarboxylate;diethyl 2,11-dimethyl-2,11-bis(pent-4-enyl)dodec-6-enedioate;ethyl 1-(9H-fluoren-9-ylmethoxycarbonylamino)cyclohept-4-ene-1-carboxylate;ethyl 2-methyl-2-pent-4-enylhept-6-enoate

C122H163N3O18 — CID 159830219

IUPACdiethyl 1,10-bis(9H-fluoren-9-ylmethoxycarbonylamino)cyclooctadeca-5,14-diene-1,10-dicarboxylate;diethyl 2,11-dimethyl-2,11-bis(pent-4-enyl)dodec-6-enedioate;ethyl 1-(9H-fluoren-9-ylmethoxycarbonylamino)cyclohept-4-ene-1-carboxylate;ethyl 2-methyl-2-pent-4-enylhept-6-enoate
SMILESC=CCCCC(C)(CCCC=C)C(=O)OCC.C=CCCCC(C)(CCCC=CCCCC(C)(CCCC=C)C(=O)OCC)C(=O)OCC.CCOC(=O)C1(NC(=O)OCC2c3ccccc3-c3ccccc32)CCC=CCC1.CCOC(=O)C1(NC(=O)OCC2c3ccccc3-c3ccccc32)CCCC=CCCCC(NC(=O)OCC2c3ccccc3-c3ccccc32)(C(=O)OCC)CCCC=CCCC1
InChIInChI=1S/C54H62N2O8.C28H48O4.C25H27NO4.C15H26O2/c1-3-61-49(57)53(55-51(59)63-37-47-43-29-17-13-25-39(43)40-26-14-18-30-44(40)47)33-21-9-5-7-11-23-35-54(50(58)62-4-2,36-24-12-8-6-10-22-34-53)56-52(60)64-38-48-45-31-19-15-27-41(45)42-28-16-20-32-46(42)48;1-7-11-17-21-27(5,25(29)31-9-3)23-19-15-13-14-16-20-24-28(6,22-18-12-8-2)26(30)32-10-4;1-2-29-23(27)25(15-9-3-4-10-16-25)26-24(28)30-17-22-20-13-7-5-11-18(20)19-12-6-8-14-21(19)22;1-5-8-10-12-15(4,13-11-9-6-2)14(16)17-7-3/h5-8,13-20,25-32,47-48H,3-4,9-12,21-24,33-38H2,1-2H3,(H,55,59)(H,56,60);7-8,13-14H,1-2,9-12,15-24H2,3-6H3;3-8,11-14,22H,2,9-10,15-17H2,1H3,(H,26,28);5-6H,1-2,7-13H2,3-4H3
InChIKeyNNJCZQIQFIPARV-UHFFFAOYSA-N
MW1959.65 g/mol
LogP28.43
Rot. Bonds45

About diethyl 1,10-bis(9H-fluoren-9-ylmethoxycarbonylamino)cyclooctadeca-5,14-diene-1,10-dicarboxylate;diethyl 2,11-dimethyl-2,11-bis(pent-4-enyl)dodec-6-enedioate;ethyl 1-(9H-fluoren-9-ylmethoxycarbonylamino)cyclohept-4-ene-1-carboxylate;ethyl 2-methyl-2-pent-4-enylhept-6-enoate

diethyl 1,10-bis(9H-fluoren-9-ylmethoxycarbonylamino)cyclooctadeca-5,14-diene-1,10-dicarboxylate;diethyl 2,11-dimethyl-2,11-bis(pent-4-enyl)dodec-6-enedioate;ethyl 1-(9H-fluoren-9-ylmethoxycarbonylamino)cyclohept-4-ene-1-carboxylate;ethyl 2-methyl-2-pent-4-enylhept-6-enoate (PubChem CID 159830219) has the molecular formula C122H163N3O18 and a molecular weight of 1959.65 g/mol. Its IUPAC name is diethyl 1,10-bis(9H-fluoren-9-ylmethoxycarbonylamino)cyclooctadeca-5,14-diene-1,10-dicarboxylate;diethyl 2,11-dimethyl-2,11-bis(pent-4-enyl)dodec-6-enedioate;ethyl 1-(9H-fluoren-9-ylmethoxycarbonylamino)cyclohept-4-ene-1-carboxylate;ethyl 2-methyl-2-pent-4-enylhept-6-enoate.

Molecular Properties

Compound Namediethyl 1,10-bis(9H-fluoren-9-ylmethoxycarbonylamino)cyclooctadeca-5,14-diene-1,10-dicarboxylate;diethyl 2,11-dimethyl-2,11-bis(pent-4-enyl)dodec-6-enedioate;ethyl 1-(9H-fluoren-9-ylmethoxycarbonylamino)cyclohept-4-ene-1-carboxylate;ethyl 2-methyl-2-pent-4-enylhept-6-enoate
PubChem CID159830219
Molecular FormulaC122H163N3O18
Molecular Weight1959.65 g/mol
Exact Mass1958.19
IUPAC Namediethyl 1,10-bis(9H-fluoren-9-ylmethoxycarbonylamino)cyclooctadeca-5,14-diene-1,10-dicarboxylate;diethyl 2,11-dimethyl-2,11-bis(pent-4-enyl)dodec-6-enedioate;ethyl 1-(9H-fluoren-9-ylmethoxycarbonylamino)cyclohept-4-ene-1-carboxylate;ethyl 2-methyl-2-pent-4-enylhept-6-enoate
SMILESC=CCCCC(C)(CCCC=C)C(=O)OCC.C=CCCCC(C)(CCCC=CCCCC(C)(CCCC=C)C(=O)OCC)C(=O)OCC.CCOC(=O)C1(NC(=O)OCC2c3ccccc3-c3ccccc32)CCC=CCC1.CCOC(=O)C1(NC(=O)OCC2c3ccccc3-c3ccccc32)CCCC=CCCCC(NC(=O)OCC2c3ccccc3-c3ccccc32)(C(=O)OCC)CCCC=CCCC1
InChIInChI=1S/C54H62N2O8.C28H48O4.C25H27NO4.C15H26O2/c1-3-61-49(57)53(55-51(59)63-37-47-43-29-17-13-25-39(43)40-26-14-18-30-44(40)47)33-21-9-5-7-11-23-35-54(50(58)62-4-2,36-24-12-8-6-10-22-34-53)56-52(60)64-38-48-45-31-19-15-27-41(45)42-28-16-20-32-46(42)48;1-7-11-17-21-27(5,25(29)31-9-3)23-19-15-13-14-16-20-24-28(6,22-18-12-8-2)26(30)32-10-4;1-2-29-23(27)25(15-9-3-4-10-16-25)26-24(28)30-17-22-20-13-7-5-11-18(20)19-12-6-8-14-21(19)22;1-5-8-10-12-15(4,13-11-9-6-2)14(16)17-7-3/h5-8,13-20,25-32,47-48H,3-4,9-12,21-24,33-38H2,1-2H3,(H,55,59)(H,56,60);7-8,13-14H,1-2,9-12,15-24H2,3-6H3;3-8,11-14,22H,2,9-10,15-17H2,1H3,(H,26,28);5-6H,1-2,7-13H2,3-4H3
InChIKeyNNJCZQIQFIPARV-UHFFFAOYSA-N
XLogP28.43
TPSA272.79 Ų
H-Bond Donors3
H-Bond Acceptors18
Rotatable Bonds45
Heavy Atoms143
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5001959.65
LogP ≤ 528.43
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 1018

Computed Properties (RDKit)

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

Analyze diethyl 1,10-bis(9H-fluoren-9-ylmethoxycarbonylamino)cyclooctadeca-5,14-diene-1,10-dicarboxylate;diethyl 2,11-dimethyl-2,11-bis(pent-4-enyl)dodec-6-enedioate;ethyl 1-(9H-fluoren-9-ylmethoxycarbonylamino)cyclohept-4-ene-1-carboxylate;ethyl 2-methyl-2-pent-4-enylhept-6-enoate with MolForge

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Launch Full Analysis

Related Compounds

ethyl 2-(9H-fluoren-9-ylmethoxycarbonylamino)-2-pent-4-enylhept-6-enoate
CID 68667175
tert-butyl 1-(9H-fluoren-9-ylmethoxycarbonylamino)cyclohenicosane-1-carboxylate
CID 11399449
methyl 1-(9H-fluoren-9-ylmethoxycarbonylamino)cyclohexane-1-carboxylate
CID 21303770
ethyl 3-(9H-fluoren-9-ylmethoxycarbonylamino)-8-azabicyclo[3.2.1]octane-3-carboxylate
CID 171951016
ethyl 3-(9H-fluoren-9-ylmethoxycarbonylamino)-8-oxo-8λ4-thiabicyclo[3.2.1]octane-3-carboxylate
CID 171951024
2-(9H-fluoren-9-ylmethoxycarbonylamino)-2-methylhept-6-enoic acid
CID 53395080
methyl 4-(9H-fluoren-9-ylmethoxycarbonylamino)piperidine-4-carboxylate
CID 11718644
ethyl 8-benzyl-3-(9H-fluoren-9-ylmethoxycarbonylamino)-8-azabicyclo[3.2.1]octane-3-carboxylate
CID 171951021
2-(9H-fluoren-9-ylmethoxycarbonylamino)-2-methylnon-8-enoic acid
CID 118797122
cis-prop-2-enyl (1R,2R)-1-(9H-fluoren-9-ylmethoxycarbonylamino)-2-hydroxycyclopentane-1-carboxylate;methane
CID 159560192
4-tert-butyl-1-(9H-fluoren-9-ylmethoxycarbonylamino)cyclohexane-1-carboxylic acid
CID 21350526
9-O-tert-butyl 7-O-ethyl 7-(9H-fluoren-9-ylmethoxycarbonylamino)-3-oxa-9-azabicyclo[3.3.1]nonane-7,9-dicarboxylate
CID 171951039

Frequently Asked Questions

What is the IUPAC name of diethyl 1,10-bis(9H-fluoren-9-ylmethoxycarbonylamino)cyclooctadeca-5,14-diene-1,10-dicarboxylate;diethyl 2,11-dimethyl-2,11-bis(pent-4-enyl)dodec-6-enedioate;ethyl 1-(9H-fluoren-9-ylmethoxycarbonylamino)cyclohept-4-ene-1-carboxylate;ethyl 2-methyl-2-pent-4-enylhept-6-enoate?
The IUPAC name of diethyl 1,10-bis(9H-fluoren-9-ylmethoxycarbonylamino)cyclooctadeca-5,14-diene-1,10-dicarboxylate;diethyl 2,11-dimethyl-2,11-bis(pent-4-enyl)dodec-6-enedioate;ethyl 1-(9H-fluoren-9-ylmethoxycarbonylamino)cyclohept-4-ene-1-carboxylate;ethyl 2-methyl-2-pent-4-enylhept-6-enoate (CID 159830219) is diethyl 1,10-bis(9H-fluoren-9-ylmethoxycarbonylamino)cyclooctadeca-5,14-diene-1,10-dicarboxylate;diethyl 2,11-dimethyl-2,11-bis(pent-4-enyl)dodec-6-enedioate;ethyl 1-(9H-fluoren-9-ylmethoxycarbonylamino)cyclohept-4-ene-1-carboxylate;ethyl 2-methyl-2-pent-4-enylhept-6-enoate.
What is the SMILES notation for diethyl 1,10-bis(9H-fluoren-9-ylmethoxycarbonylamino)cyclooctadeca-5,14-diene-1,10-dicarboxylate;diethyl 2,11-dimethyl-2,11-bis(pent-4-enyl)dodec-6-enedioate;ethyl 1-(9H-fluoren-9-ylmethoxycarbonylamino)cyclohept-4-ene-1-carboxylate;ethyl 2-methyl-2-pent-4-enylhept-6-enoate?
The canonical SMILES for diethyl 1,10-bis(9H-fluoren-9-ylmethoxycarbonylamino)cyclooctadeca-5,14-diene-1,10-dicarboxylate;diethyl 2,11-dimethyl-2,11-bis(pent-4-enyl)dodec-6-enedioate;ethyl 1-(9H-fluoren-9-ylmethoxycarbonylamino)cyclohept-4-ene-1-carboxylate;ethyl 2-methyl-2-pent-4-enylhept-6-enoate is C=CCCCC(C)(CCCC=C)C(=O)OCC.C=CCCCC(C)(CCCC=CCCCC(C)(CCCC=C)C(=O)OCC)C(=O)OCC.CCOC(=O)C1(NC(=O)OCC2c3ccccc3-c3ccccc32)CCC=CCC1.CCOC(=O)C1(NC(=O)OCC2c3ccccc3-c3ccccc32)CCCC=CCCCC(NC(=O)OCC2c3ccccc3-c3ccccc32)(C(=O)OCC)CCCC=CCCC1.
What is the InChIKey of diethyl 1,10-bis(9H-fluoren-9-ylmethoxycarbonylamino)cyclooctadeca-5,14-diene-1,10-dicarboxylate;diethyl 2,11-dimethyl-2,11-bis(pent-4-enyl)dodec-6-enedioate;ethyl 1-(9H-fluoren-9-ylmethoxycarbonylamino)cyclohept-4-ene-1-carboxylate;ethyl 2-methyl-2-pent-4-enylhept-6-enoate?
The InChIKey is NNJCZQIQFIPARV-UHFFFAOYSA-N. The full InChI is InChI=1S/C54H62N2O8.C28H48O4.C25H27NO4.C15H26O2/c1-3-61-49(57)53(55-51(59)63-37-47-43-29-17-13-25-39(43)40-26-14-18-30-44(40)47)33-21-9-5-7-11-23-35-54(50(58)62-4-2,36-24-12-8-6-10-22-34-53)56-52(60)64-38-48-45-31-19-15-27-41(45)42-28-16-20-32-46(42)48;1-7-11-17-21-27(5,25(29)31-9-3)23-19-15-13-14-16-20-24-28(6,22-18-12-8-2)26(30)32-10-4;1-2-29-23(27)25(15-9-3-4-10-16-25)26-24(28)30-17-22-20-13-7-5-11-18(20)19-12-6-8-14-21(19)22;1-5-8-10-12-15(4,13-11-9-6-2)14(16)17-7-3/h5-8,13-20,25-32,47-48H,3-4,9-12,21-24,33-38H2,1-2H3,(H,55,59)(H,56,60);7-8,13-14H,1-2,9-12,15-24H2,3-6H3;3-8,11-14,22H,2,9-10,15-17H2,1H3,(H,26,28);5-6H,1-2,7-13H2,3-4H3.
What are the key properties of diethyl 1,10-bis(9H-fluoren-9-ylmethoxycarbonylamino)cyclooctadeca-5,14-diene-1,10-dicarboxylate;diethyl 2,11-dimethyl-2,11-bis(pent-4-enyl)dodec-6-enedioate;ethyl 1-(9H-fluoren-9-ylmethoxycarbonylamino)cyclohept-4-ene-1-carboxylate;ethyl 2-methyl-2-pent-4-enylhept-6-enoate?
diethyl 1,10-bis(9H-fluoren-9-ylmethoxycarbonylamino)cyclooctadeca-5,14-diene-1,10-dicarboxylate;diethyl 2,11-dimethyl-2,11-bis(pent-4-enyl)dodec-6-enedioate;ethyl 1-(9H-fluoren-9-ylmethoxycarbonylamino)cyclohept-4-ene-1-carboxylate;ethyl 2-methyl-2-pent-4-enylhept-6-enoate has a molecular weight of 1959.65 g/mol, XLogP of 28.43, 45 rotatable bonds, 3 hydrogen bond donors, and 18 hydrogen bond acceptors.
Where does this data come from?
All data for diethyl 1,10-bis(9H-fluoren-9-ylmethoxycarbonylamino)cyclooctadeca-5,14-diene-1,10-dicarboxylate;diethyl 2,11-dimethyl-2,11-bis(pent-4-enyl)dodec-6-enedioate;ethyl 1-(9H-fluoren-9-ylmethoxycarbonylamino)cyclohept-4-ene-1-carboxylate;ethyl 2-methyl-2-pent-4-enylhept-6-enoate is sourced from PubChem (CID 159830219), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).