(5-butyl-6,7,8,9-tetrahydrobenzo[7]annulen-5-yl) 2-methylprop-2-enoate;(5-tert-butyl-6,7,8,9-tetrahydrobenzo[7]annulen-5-yl) 2-methylprop-2-enoate;(5-cyclobutyl-6,7,8,9-tetrahydrobenzo[7]annulen-5-yl) 2-methylprop-2-enoate;(5-cyclohexyl-6,7,8,9-tetrahydrobenzo[7]annulen-5-yl) 2-methylprop-2-enoate;(5-cyclopentyl-6,7,8,9-tetrahydrobenzo[7]annulen-5-yl) 2-methylprop-2-enoate;(5-cyclopropyl-6,7,8,9-tetrahydrobenzo[7]annulen-5-yl) 2-methylprop-2-enoate;(5-ethenyl-6,7,8,9-tetrahydrobenzo[7]annulen-5-yl) 2-methylprop-2-enoate;(5-ethynyl-6,7,8,9-tetrahydrobenzo[7]annulen-5-yl) 2-methylprop-2-enoate;[5-[(E)-prop-1-enyl]-6,7,8,9-tetrahydrobenzo[7]annulen-5-yl] 2-methylprop-2-enoate;(5-prop-2-enyl-6,7,8,9-tetrahydrobenzo[7]annulen-5-yl) 2-methylprop-2-enoate;(5-prop-1-ynyl-6,7,8,9-tetrahydrobenzo[7]annulen-5-yl) 2-methylprop-2-enoate;(5-prop-2-ynyl-6,7,8,9-tetrahydrobenzo[7]annulen-5-yl) 2-methylprop-2-enoate

C222H274O24 — CID 159823468

IUPAC(5-butyl-6,7,8,9-tetrahydrobenzo[7]annulen-5-yl) 2-methylprop-2-enoate;(5-tert-butyl-6,7,8,9-tetrahydrobenzo[7]annulen-5-yl) 2-methylprop-2-enoate;(5-cyclobutyl-6,7,8,9-tetrahydrobenzo[7]annulen-5-yl) 2-methylprop-2-enoate;(5-cyclohexyl-6,7,8,9-tetrahydrobenzo[7]annulen-5-yl) 2-methylprop-2-enoate;(5-cyclopentyl-6,7,8,9-tetrahydrobenzo[7]annulen-5-yl) 2-methylprop-2-enoate;(5-cyclopropyl-6,7,8,9-tetrahydrobenzo[7]annulen-5-yl) 2-methylprop-2-enoate;(5-ethenyl-6,7,8,9-tetrahydrobenzo[7]annulen-5-yl) 2-methylprop-2-enoate;(5-ethynyl-6,7,8,9-tetrahydrobenzo[7]annulen-5-yl) 2-methylprop-2-enoate;[5-[(E)-prop-1-enyl]-6,7,8,9-tetrahydrobenzo[7]annulen-5-yl] 2-methylprop-2-enoate;(5-prop-2-enyl-6,7,8,9-tetrahydrobenzo[7]annulen-5-yl) 2-methylprop-2-enoate;(5-prop-1-ynyl-6,7,8,9-tetrahydrobenzo[7]annulen-5-yl) 2-methylprop-2-enoate;(5-prop-2-ynyl-6,7,8,9-tetrahydrobenzo[7]annulen-5-yl) 2-methylprop-2-enoate
SMILESC#CC1(OC(=O)C(=C)C)CCCCc2ccccc21.C#CCC1(OC(=O)C(=C)C)CCCCc2ccccc21.C=C(C)C(=O)OC1(/C=C/C)CCCCc2ccccc21.C=C(C)C(=O)OC1(C#CC)CCCCc2ccccc21.C=C(C)C(=O)OC1(C(C)(C)C)CCCCc2ccccc21.C=C(C)C(=O)OC1(C2CC2)CCCCc2ccccc21.C=C(C)C(=O)OC1(C2CCC2)CCCCc2ccccc21.C=C(C)C(=O)OC1(C2CCCC2)CCCCc2ccccc21.C=C(C)C(=O)OC1(C2CCCCC2)CCCCc2ccccc21.C=C(C)C(=O)OC1(CCCC)CCCCc2ccccc21.C=CC1(OC(=O)C(=C)C)CCCCc2ccccc21.C=CCC1(OC(=O)C(=C)C)CCCCc2ccccc21
InChIInChI=1S/C21H28O2.C20H26O2.C19H24O2.2C19H26O2.3C18H22O2.2C18H20O2.C17H20O2.C17H18O2/c1-16(2)20(22)23-21(18-12-4-3-5-13-18)15-9-8-11-17-10-6-7-14-19(17)21;1-15(2)19(21)22-20(17-11-4-5-12-17)14-8-7-10-16-9-3-6-13-18(16)20;1-14(2)18(20)21-19(16-10-7-11-16)13-6-5-9-15-8-3-4-12-17(15)19;1-14(2)17(20)21-19(18(3,4)5)13-9-8-11-15-10-6-7-12-16(15)19;1-4-5-13-19(21-18(20)15(2)3)14-9-8-11-16-10-6-7-12-17(16)19;1-13(2)17(19)20-18(15-10-11-15)12-6-5-8-14-7-3-4-9-16(14)18;4*1-4-12-18(20-17(19)14(2)3)13-8-7-10-15-9-5-6-11-16(15)18;2*1-4-17(19-16(18)13(2)3)12-8-7-10-14-9-5-6-11-15(14)17/h6-7,10,14,18H,1,3-5,8-9,11-13,15H2,2H3;3,6,9,13,17H,1,4-5,7-8,10-12,14H2,2H3;3-4,8,12,16H,1,5-7,9-11,13H2,2H3;6-7,10,12H,1,8-9,11,13H2,2-5H3;6-7,10,12H,2,4-5,8-9,11,13-14H2,1,3H3;3-4,7,9,15H,1,5-6,8,10-12H2,2H3;4-6,9,11-12H,2,7-8,10,13H2,1,3H3;4-6,9,11H,1-2,7-8,10,12-13H2,3H3;5-6,9,11H,2,7-8,10,13H2,1,3H3;1,5-6,9,11H,2,7-8,10,12-13H2,3H3;4-6,9,11H,1-2,7-8,10,12H2,3H3;1,5-6,9,11H,2,7-8,10,12H2,3H3/b;;;;;;12-4+;;;;;
InChIKeyNMNMNESXHUZSAK-MVYFGMCESA-N
MW3326.61 g/mol
LogP51.97
Rot. Bonds36

About (5-butyl-6,7,8,9-tetrahydrobenzo[7]annulen-5-yl) 2-methylprop-2-enoate;(5-tert-butyl-6,7,8,9-tetrahydrobenzo[7]annulen-5-yl) 2-methylprop-2-enoate;(5-cyclobutyl-6,7,8,9-tetrahydrobenzo[7]annulen-5-yl) 2-methylprop-2-enoate;(5-cyclohexyl-6,7,8,9-tetrahydrobenzo[7]annulen-5-yl) 2-methylprop-2-enoate;(5-cyclopentyl-6,7,8,9-tetrahydrobenzo[7]annulen-5-yl) 2-methylprop-2-enoate;(5-cyclopropyl-6,7,8,9-tetrahydrobenzo[7]annulen-5-yl) 2-methylprop-2-enoate;(5-ethenyl-6,7,8,9-tetrahydrobenzo[7]annulen-5-yl) 2-methylprop-2-enoate;(5-ethynyl-6,7,8,9-tetrahydrobenzo[7]annulen-5-yl) 2-methylprop-2-enoate;[5-[(E)-prop-1-enyl]-6,7,8,9-tetrahydrobenzo[7]annulen-5-yl] 2-methylprop-2-enoate;(5-prop-2-enyl-6,7,8,9-tetrahydrobenzo[7]annulen-5-yl) 2-methylprop-2-enoate;(5-prop-1-ynyl-6,7,8,9-tetrahydrobenzo[7]annulen-5-yl) 2-methylprop-2-enoate;(5-prop-2-ynyl-6,7,8,9-tetrahydrobenzo[7]annulen-5-yl) 2-methylprop-2-enoate

(5-butyl-6,7,8,9-tetrahydrobenzo[7]annulen-5-yl) 2-methylprop-2-enoate;(5-tert-butyl-6,7,8,9-tetrahydrobenzo[7]annulen-5-yl) 2-methylprop-2-enoate;(5-cyclobutyl-6,7,8,9-tetrahydrobenzo[7]annulen-5-yl) 2-methylprop-2-enoate;(5-cyclohexyl-6,7,8,9-tetrahydrobenzo[7]annulen-5-yl) 2-methylprop-2-enoate;(5-cyclopentyl-6,7,8,9-tetrahydrobenzo[7]annulen-5-yl) 2-methylprop-2-enoate;(5-cyclopropyl-6,7,8,9-tetrahydrobenzo[7]annulen-5-yl) 2-methylprop-2-enoate;(5-ethenyl-6,7,8,9-tetrahydrobenzo[7]annulen-5-yl) 2-methylprop-2-enoate;(5-ethynyl-6,7,8,9-tetrahydrobenzo[7]annulen-5-yl) 2-methylprop-2-enoate;[5-[(E)-prop-1-enyl]-6,7,8,9-tetrahydrobenzo[7]annulen-5-yl] 2-methylprop-2-enoate;(5-prop-2-enyl-6,7,8,9-tetrahydrobenzo[7]annulen-5-yl) 2-methylprop-2-enoate;(5-prop-1-ynyl-6,7,8,9-tetrahydrobenzo[7]annulen-5-yl) 2-methylprop-2-enoate;(5-prop-2-ynyl-6,7,8,9-tetrahydrobenzo[7]annulen-5-yl) 2-methylprop-2-enoate (PubChem CID 159823468) has the molecular formula C222H274O24 and a molecular weight of 3326.61 g/mol. Its IUPAC name is (5-butyl-6,7,8,9-tetrahydrobenzo[7]annulen-5-yl) 2-methylprop-2-enoate;(5-tert-butyl-6,7,8,9-tetrahydrobenzo[7]annulen-5-yl) 2-methylprop-2-enoate;(5-cyclobutyl-6,7,8,9-tetrahydrobenzo[7]annulen-5-yl) 2-methylprop-2-enoate;(5-cyclohexyl-6,7,8,9-tetrahydrobenzo[7]annulen-5-yl) 2-methylprop-2-enoate;(5-cyclopentyl-6,7,8,9-tetrahydrobenzo[7]annulen-5-yl) 2-methylprop-2-enoate;(5-cyclopropyl-6,7,8,9-tetrahydrobenzo[7]annulen-5-yl) 2-methylprop-2-enoate;(5-ethenyl-6,7,8,9-tetrahydrobenzo[7]annulen-5-yl) 2-methylprop-2-enoate;(5-ethynyl-6,7,8,9-tetrahydrobenzo[7]annulen-5-yl) 2-methylprop-2-enoate;[5-[(E)-prop-1-enyl]-6,7,8,9-tetrahydrobenzo[7]annulen-5-yl] 2-methylprop-2-enoate;(5-prop-2-enyl-6,7,8,9-tetrahydrobenzo[7]annulen-5-yl) 2-methylprop-2-enoate;(5-prop-1-ynyl-6,7,8,9-tetrahydrobenzo[7]annulen-5-yl) 2-methylprop-2-enoate;(5-prop-2-ynyl-6,7,8,9-tetrahydrobenzo[7]annulen-5-yl) 2-methylprop-2-enoate.

Molecular Properties

Compound Name(5-butyl-6,7,8,9-tetrahydrobenzo[7]annulen-5-yl) 2-methylprop-2-enoate;(5-tert-butyl-6,7,8,9-tetrahydrobenzo[7]annulen-5-yl) 2-methylprop-2-enoate;(5-cyclobutyl-6,7,8,9-tetrahydrobenzo[7]annulen-5-yl) 2-methylprop-2-enoate;(5-cyclohexyl-6,7,8,9-tetrahydrobenzo[7]annulen-5-yl) 2-methylprop-2-enoate;(5-cyclopentyl-6,7,8,9-tetrahydrobenzo[7]annulen-5-yl) 2-methylprop-2-enoate;(5-cyclopropyl-6,7,8,9-tetrahydrobenzo[7]annulen-5-yl) 2-methylprop-2-enoate;(5-ethenyl-6,7,8,9-tetrahydrobenzo[7]annulen-5-yl) 2-methylprop-2-enoate;(5-ethynyl-6,7,8,9-tetrahydrobenzo[7]annulen-5-yl) 2-methylprop-2-enoate;[5-[(E)-prop-1-enyl]-6,7,8,9-tetrahydrobenzo[7]annulen-5-yl] 2-methylprop-2-enoate;(5-prop-2-enyl-6,7,8,9-tetrahydrobenzo[7]annulen-5-yl) 2-methylprop-2-enoate;(5-prop-1-ynyl-6,7,8,9-tetrahydrobenzo[7]annulen-5-yl) 2-methylprop-2-enoate;(5-prop-2-ynyl-6,7,8,9-tetrahydrobenzo[7]annulen-5-yl) 2-methylprop-2-enoate
PubChem CID159823468
Molecular FormulaC222H274O24
Molecular Weight3326.61 g/mol
Exact Mass3324.02
IUPAC Name(5-butyl-6,7,8,9-tetrahydrobenzo[7]annulen-5-yl) 2-methylprop-2-enoate;(5-tert-butyl-6,7,8,9-tetrahydrobenzo[7]annulen-5-yl) 2-methylprop-2-enoate;(5-cyclobutyl-6,7,8,9-tetrahydrobenzo[7]annulen-5-yl) 2-methylprop-2-enoate;(5-cyclohexyl-6,7,8,9-tetrahydrobenzo[7]annulen-5-yl) 2-methylprop-2-enoate;(5-cyclopentyl-6,7,8,9-tetrahydrobenzo[7]annulen-5-yl) 2-methylprop-2-enoate;(5-cyclopropyl-6,7,8,9-tetrahydrobenzo[7]annulen-5-yl) 2-methylprop-2-enoate;(5-ethenyl-6,7,8,9-tetrahydrobenzo[7]annulen-5-yl) 2-methylprop-2-enoate;(5-ethynyl-6,7,8,9-tetrahydrobenzo[7]annulen-5-yl) 2-methylprop-2-enoate;[5-[(E)-prop-1-enyl]-6,7,8,9-tetrahydrobenzo[7]annulen-5-yl] 2-methylprop-2-enoate;(5-prop-2-enyl-6,7,8,9-tetrahydrobenzo[7]annulen-5-yl) 2-methylprop-2-enoate;(5-prop-1-ynyl-6,7,8,9-tetrahydrobenzo[7]annulen-5-yl) 2-methylprop-2-enoate;(5-prop-2-ynyl-6,7,8,9-tetrahydrobenzo[7]annulen-5-yl) 2-methylprop-2-enoate
SMILESC#CC1(OC(=O)C(=C)C)CCCCc2ccccc21.C#CCC1(OC(=O)C(=C)C)CCCCc2ccccc21.C=C(C)C(=O)OC1(/C=C/C)CCCCc2ccccc21.C=C(C)C(=O)OC1(C#CC)CCCCc2ccccc21.C=C(C)C(=O)OC1(C(C)(C)C)CCCCc2ccccc21.C=C(C)C(=O)OC1(C2CC2)CCCCc2ccccc21.C=C(C)C(=O)OC1(C2CCC2)CCCCc2ccccc21.C=C(C)C(=O)OC1(C2CCCC2)CCCCc2ccccc21.C=C(C)C(=O)OC1(C2CCCCC2)CCCCc2ccccc21.C=C(C)C(=O)OC1(CCCC)CCCCc2ccccc21.C=CC1(OC(=O)C(=C)C)CCCCc2ccccc21.C=CCC1(OC(=O)C(=C)C)CCCCc2ccccc21
InChIInChI=1S/C21H28O2.C20H26O2.C19H24O2.2C19H26O2.3C18H22O2.2C18H20O2.C17H20O2.C17H18O2/c1-16(2)20(22)23-21(18-12-4-3-5-13-18)15-9-8-11-17-10-6-7-14-19(17)21;1-15(2)19(21)22-20(17-11-4-5-12-17)14-8-7-10-16-9-3-6-13-18(16)20;1-14(2)18(20)21-19(16-10-7-11-16)13-6-5-9-15-8-3-4-12-17(15)19;1-14(2)17(20)21-19(18(3,4)5)13-9-8-11-15-10-6-7-12-16(15)19;1-4-5-13-19(21-18(20)15(2)3)14-9-8-11-16-10-6-7-12-17(16)19;1-13(2)17(19)20-18(15-10-11-15)12-6-5-8-14-7-3-4-9-16(14)18;4*1-4-12-18(20-17(19)14(2)3)13-8-7-10-15-9-5-6-11-16(15)18;2*1-4-17(19-16(18)13(2)3)12-8-7-10-14-9-5-6-11-15(14)17/h6-7,10,14,18H,1,3-5,8-9,11-13,15H2,2H3;3,6,9,13,17H,1,4-5,7-8,10-12,14H2,2H3;3-4,8,12,16H,1,5-7,9-11,13H2,2H3;6-7,10,12H,1,8-9,11,13H2,2-5H3;6-7,10,12H,2,4-5,8-9,11,13-14H2,1,3H3;3-4,7,9,15H,1,5-6,8,10-12H2,2H3;4-6,9,11-12H,2,7-8,10,13H2,1,3H3;4-6,9,11H,1-2,7-8,10,12-13H2,3H3;5-6,9,11H,2,7-8,10,13H2,1,3H3;1,5-6,9,11H,2,7-8,10,12-13H2,3H3;4-6,9,11H,1-2,7-8,10,12H2,3H3;1,5-6,9,11H,2,7-8,10,12H2,3H3/b;;;;;;12-4+;;;;;
InChIKeyNMNMNESXHUZSAK-MVYFGMCESA-N
XLogP51.97
TPSA315.60 Ų
H-Bond Donors
H-Bond Acceptors24
Rotatable Bonds36
Heavy Atoms246
Complexity

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5003326.61
LogP ≤ 551.97
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 1024

Computed Properties (RDKit)

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

Analyze (5-butyl-6,7,8,9-tetrahydrobenzo[7]annulen-5-yl) 2-methylprop-2-enoate;(5-tert-butyl-6,7,8,9-tetrahydrobenzo[7]annulen-5-yl) 2-methylprop-2-enoate;(5-cyclobutyl-6,7,8,9-tetrahydrobenzo[7]annulen-5-yl) 2-methylprop-2-enoate;(5-cyclohexyl-6,7,8,9-tetrahydrobenzo[7]annulen-5-yl) 2-methylprop-2-enoate;(5-cyclopentyl-6,7,8,9-tetrahydrobenzo[7]annulen-5-yl) 2-methylprop-2-enoate;(5-cyclopropyl-6,7,8,9-tetrahydrobenzo[7]annulen-5-yl) 2-methylprop-2-enoate;(5-ethenyl-6,7,8,9-tetrahydrobenzo[7]annulen-5-yl) 2-methylprop-2-enoate;(5-ethynyl-6,7,8,9-tetrahydrobenzo[7]annulen-5-yl) 2-methylprop-2-enoate;[5-[(E)-prop-1-enyl]-6,7,8,9-tetrahydrobenzo[7]annulen-5-yl] 2-methylprop-2-enoate;(5-prop-2-enyl-6,7,8,9-tetrahydrobenzo[7]annulen-5-yl) 2-methylprop-2-enoate;(5-prop-1-ynyl-6,7,8,9-tetrahydrobenzo[7]annulen-5-yl) 2-methylprop-2-enoate;(5-prop-2-ynyl-6,7,8,9-tetrahydrobenzo[7]annulen-5-yl) 2-methylprop-2-enoate with MolForge

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Frequently Asked Questions

What is the IUPAC name of (5-butyl-6,7,8,9-tetrahydrobenzo[7]annulen-5-yl) 2-methylprop-2-enoate;(5-tert-butyl-6,7,8,9-tetrahydrobenzo[7]annulen-5-yl) 2-methylprop-2-enoate;(5-cyclobutyl-6,7,8,9-tetrahydrobenzo[7]annulen-5-yl) 2-methylprop-2-enoate;(5-cyclohexyl-6,7,8,9-tetrahydrobenzo[7]annulen-5-yl) 2-methylprop-2-enoate;(5-cyclopentyl-6,7,8,9-tetrahydrobenzo[7]annulen-5-yl) 2-methylprop-2-enoate;(5-cyclopropyl-6,7,8,9-tetrahydrobenzo[7]annulen-5-yl) 2-methylprop-2-enoate;(5-ethenyl-6,7,8,9-tetrahydrobenzo[7]annulen-5-yl) 2-methylprop-2-enoate;(5-ethynyl-6,7,8,9-tetrahydrobenzo[7]annulen-5-yl) 2-methylprop-2-enoate;[5-[(E)-prop-1-enyl]-6,7,8,9-tetrahydrobenzo[7]annulen-5-yl] 2-methylprop-2-enoate;(5-prop-2-enyl-6,7,8,9-tetrahydrobenzo[7]annulen-5-yl) 2-methylprop-2-enoate;(5-prop-1-ynyl-6,7,8,9-tetrahydrobenzo[7]annulen-5-yl) 2-methylprop-2-enoate;(5-prop-2-ynyl-6,7,8,9-tetrahydrobenzo[7]annulen-5-yl) 2-methylprop-2-enoate?
The IUPAC name of (5-butyl-6,7,8,9-tetrahydrobenzo[7]annulen-5-yl) 2-methylprop-2-enoate;(5-tert-butyl-6,7,8,9-tetrahydrobenzo[7]annulen-5-yl) 2-methylprop-2-enoate;(5-cyclobutyl-6,7,8,9-tetrahydrobenzo[7]annulen-5-yl) 2-methylprop-2-enoate;(5-cyclohexyl-6,7,8,9-tetrahydrobenzo[7]annulen-5-yl) 2-methylprop-2-enoate;(5-cyclopentyl-6,7,8,9-tetrahydrobenzo[7]annulen-5-yl) 2-methylprop-2-enoate;(5-cyclopropyl-6,7,8,9-tetrahydrobenzo[7]annulen-5-yl) 2-methylprop-2-enoate;(5-ethenyl-6,7,8,9-tetrahydrobenzo[7]annulen-5-yl) 2-methylprop-2-enoate;(5-ethynyl-6,7,8,9-tetrahydrobenzo[7]annulen-5-yl) 2-methylprop-2-enoate;[5-[(E)-prop-1-enyl]-6,7,8,9-tetrahydrobenzo[7]annulen-5-yl] 2-methylprop-2-enoate;(5-prop-2-enyl-6,7,8,9-tetrahydrobenzo[7]annulen-5-yl) 2-methylprop-2-enoate;(5-prop-1-ynyl-6,7,8,9-tetrahydrobenzo[7]annulen-5-yl) 2-methylprop-2-enoate;(5-prop-2-ynyl-6,7,8,9-tetrahydrobenzo[7]annulen-5-yl) 2-methylprop-2-enoate (CID 159823468) is (5-butyl-6,7,8,9-tetrahydrobenzo[7]annulen-5-yl) 2-methylprop-2-enoate;(5-tert-butyl-6,7,8,9-tetrahydrobenzo[7]annulen-5-yl) 2-methylprop-2-enoate;(5-cyclobutyl-6,7,8,9-tetrahydrobenzo[7]annulen-5-yl) 2-methylprop-2-enoate;(5-cyclohexyl-6,7,8,9-tetrahydrobenzo[7]annulen-5-yl) 2-methylprop-2-enoate;(5-cyclopentyl-6,7,8,9-tetrahydrobenzo[7]annulen-5-yl) 2-methylprop-2-enoate;(5-cyclopropyl-6,7,8,9-tetrahydrobenzo[7]annulen-5-yl) 2-methylprop-2-enoate;(5-ethenyl-6,7,8,9-tetrahydrobenzo[7]annulen-5-yl) 2-methylprop-2-enoate;(5-ethynyl-6,7,8,9-tetrahydrobenzo[7]annulen-5-yl) 2-methylprop-2-enoate;[5-[(E)-prop-1-enyl]-6,7,8,9-tetrahydrobenzo[7]annulen-5-yl] 2-methylprop-2-enoate;(5-prop-2-enyl-6,7,8,9-tetrahydrobenzo[7]annulen-5-yl) 2-methylprop-2-enoate;(5-prop-1-ynyl-6,7,8,9-tetrahydrobenzo[7]annulen-5-yl) 2-methylprop-2-enoate;(5-prop-2-ynyl-6,7,8,9-tetrahydrobenzo[7]annulen-5-yl) 2-methylprop-2-enoate.
What is the SMILES notation for (5-butyl-6,7,8,9-tetrahydrobenzo[7]annulen-5-yl) 2-methylprop-2-enoate;(5-tert-butyl-6,7,8,9-tetrahydrobenzo[7]annulen-5-yl) 2-methylprop-2-enoate;(5-cyclobutyl-6,7,8,9-tetrahydrobenzo[7]annulen-5-yl) 2-methylprop-2-enoate;(5-cyclohexyl-6,7,8,9-tetrahydrobenzo[7]annulen-5-yl) 2-methylprop-2-enoate;(5-cyclopentyl-6,7,8,9-tetrahydrobenzo[7]annulen-5-yl) 2-methylprop-2-enoate;(5-cyclopropyl-6,7,8,9-tetrahydrobenzo[7]annulen-5-yl) 2-methylprop-2-enoate;(5-ethenyl-6,7,8,9-tetrahydrobenzo[7]annulen-5-yl) 2-methylprop-2-enoate;(5-ethynyl-6,7,8,9-tetrahydrobenzo[7]annulen-5-yl) 2-methylprop-2-enoate;[5-[(E)-prop-1-enyl]-6,7,8,9-tetrahydrobenzo[7]annulen-5-yl] 2-methylprop-2-enoate;(5-prop-2-enyl-6,7,8,9-tetrahydrobenzo[7]annulen-5-yl) 2-methylprop-2-enoate;(5-prop-1-ynyl-6,7,8,9-tetrahydrobenzo[7]annulen-5-yl) 2-methylprop-2-enoate;(5-prop-2-ynyl-6,7,8,9-tetrahydrobenzo[7]annulen-5-yl) 2-methylprop-2-enoate?
The canonical SMILES for (5-butyl-6,7,8,9-tetrahydrobenzo[7]annulen-5-yl) 2-methylprop-2-enoate;(5-tert-butyl-6,7,8,9-tetrahydrobenzo[7]annulen-5-yl) 2-methylprop-2-enoate;(5-cyclobutyl-6,7,8,9-tetrahydrobenzo[7]annulen-5-yl) 2-methylprop-2-enoate;(5-cyclohexyl-6,7,8,9-tetrahydrobenzo[7]annulen-5-yl) 2-methylprop-2-enoate;(5-cyclopentyl-6,7,8,9-tetrahydrobenzo[7]annulen-5-yl) 2-methylprop-2-enoate;(5-cyclopropyl-6,7,8,9-tetrahydrobenzo[7]annulen-5-yl) 2-methylprop-2-enoate;(5-ethenyl-6,7,8,9-tetrahydrobenzo[7]annulen-5-yl) 2-methylprop-2-enoate;(5-ethynyl-6,7,8,9-tetrahydrobenzo[7]annulen-5-yl) 2-methylprop-2-enoate;[5-[(E)-prop-1-enyl]-6,7,8,9-tetrahydrobenzo[7]annulen-5-yl] 2-methylprop-2-enoate;(5-prop-2-enyl-6,7,8,9-tetrahydrobenzo[7]annulen-5-yl) 2-methylprop-2-enoate;(5-prop-1-ynyl-6,7,8,9-tetrahydrobenzo[7]annulen-5-yl) 2-methylprop-2-enoate;(5-prop-2-ynyl-6,7,8,9-tetrahydrobenzo[7]annulen-5-yl) 2-methylprop-2-enoate is C#CC1(OC(=O)C(=C)C)CCCCc2ccccc21.C#CCC1(OC(=O)C(=C)C)CCCCc2ccccc21.C=C(C)C(=O)OC1(/C=C/C)CCCCc2ccccc21.C=C(C)C(=O)OC1(C#CC)CCCCc2ccccc21.C=C(C)C(=O)OC1(C(C)(C)C)CCCCc2ccccc21.C=C(C)C(=O)OC1(C2CC2)CCCCc2ccccc21.C=C(C)C(=O)OC1(C2CCC2)CCCCc2ccccc21.C=C(C)C(=O)OC1(C2CCCC2)CCCCc2ccccc21.C=C(C)C(=O)OC1(C2CCCCC2)CCCCc2ccccc21.C=C(C)C(=O)OC1(CCCC)CCCCc2ccccc21.C=CC1(OC(=O)C(=C)C)CCCCc2ccccc21.C=CCC1(OC(=O)C(=C)C)CCCCc2ccccc21.
What is the InChIKey of (5-butyl-6,7,8,9-tetrahydrobenzo[7]annulen-5-yl) 2-methylprop-2-enoate;(5-tert-butyl-6,7,8,9-tetrahydrobenzo[7]annulen-5-yl) 2-methylprop-2-enoate;(5-cyclobutyl-6,7,8,9-tetrahydrobenzo[7]annulen-5-yl) 2-methylprop-2-enoate;(5-cyclohexyl-6,7,8,9-tetrahydrobenzo[7]annulen-5-yl) 2-methylprop-2-enoate;(5-cyclopentyl-6,7,8,9-tetrahydrobenzo[7]annulen-5-yl) 2-methylprop-2-enoate;(5-cyclopropyl-6,7,8,9-tetrahydrobenzo[7]annulen-5-yl) 2-methylprop-2-enoate;(5-ethenyl-6,7,8,9-tetrahydrobenzo[7]annulen-5-yl) 2-methylprop-2-enoate;(5-ethynyl-6,7,8,9-tetrahydrobenzo[7]annulen-5-yl) 2-methylprop-2-enoate;[5-[(E)-prop-1-enyl]-6,7,8,9-tetrahydrobenzo[7]annulen-5-yl] 2-methylprop-2-enoate;(5-prop-2-enyl-6,7,8,9-tetrahydrobenzo[7]annulen-5-yl) 2-methylprop-2-enoate;(5-prop-1-ynyl-6,7,8,9-tetrahydrobenzo[7]annulen-5-yl) 2-methylprop-2-enoate;(5-prop-2-ynyl-6,7,8,9-tetrahydrobenzo[7]annulen-5-yl) 2-methylprop-2-enoate?
The InChIKey is NMNMNESXHUZSAK-MVYFGMCESA-N. The full InChI is InChI=1S/C21H28O2.C20H26O2.C19H24O2.2C19H26O2.3C18H22O2.2C18H20O2.C17H20O2.C17H18O2/c1-16(2)20(22)23-21(18-12-4-3-5-13-18)15-9-8-11-17-10-6-7-14-19(17)21;1-15(2)19(21)22-20(17-11-4-5-12-17)14-8-7-10-16-9-3-6-13-18(16)20;1-14(2)18(20)21-19(16-10-7-11-16)13-6-5-9-15-8-3-4-12-17(15)19;1-14(2)17(20)21-19(18(3,4)5)13-9-8-11-15-10-6-7-12-16(15)19;1-4-5-13-19(21-18(20)15(2)3)14-9-8-11-16-10-6-7-12-17(16)19;1-13(2)17(19)20-18(15-10-11-15)12-6-5-8-14-7-3-4-9-16(14)18;4*1-4-12-18(20-17(19)14(2)3)13-8-7-10-15-9-5-6-11-16(15)18;2*1-4-17(19-16(18)13(2)3)12-8-7-10-14-9-5-6-11-15(14)17/h6-7,10,14,18H,1,3-5,8-9,11-13,15H2,2H3;3,6,9,13,17H,1,4-5,7-8,10-12,14H2,2H3;3-4,8,12,16H,1,5-7,9-11,13H2,2H3;6-7,10,12H,1,8-9,11,13H2,2-5H3;6-7,10,12H,2,4-5,8-9,11,13-14H2,1,3H3;3-4,7,9,15H,1,5-6,8,10-12H2,2H3;4-6,9,11-12H,2,7-8,10,13H2,1,3H3;4-6,9,11H,1-2,7-8,10,12-13H2,3H3;5-6,9,11H,2,7-8,10,13H2,1,3H3;1,5-6,9,11H,2,7-8,10,12-13H2,3H3;4-6,9,11H,1-2,7-8,10,12H2,3H3;1,5-6,9,11H,2,7-8,10,12H2,3H3/b;;;;;;12-4+;;;;;.
What are the key properties of (5-butyl-6,7,8,9-tetrahydrobenzo[7]annulen-5-yl) 2-methylprop-2-enoate;(5-tert-butyl-6,7,8,9-tetrahydrobenzo[7]annulen-5-yl) 2-methylprop-2-enoate;(5-cyclobutyl-6,7,8,9-tetrahydrobenzo[7]annulen-5-yl) 2-methylprop-2-enoate;(5-cyclohexyl-6,7,8,9-tetrahydrobenzo[7]annulen-5-yl) 2-methylprop-2-enoate;(5-cyclopentyl-6,7,8,9-tetrahydrobenzo[7]annulen-5-yl) 2-methylprop-2-enoate;(5-cyclopropyl-6,7,8,9-tetrahydrobenzo[7]annulen-5-yl) 2-methylprop-2-enoate;(5-ethenyl-6,7,8,9-tetrahydrobenzo[7]annulen-5-yl) 2-methylprop-2-enoate;(5-ethynyl-6,7,8,9-tetrahydrobenzo[7]annulen-5-yl) 2-methylprop-2-enoate;[5-[(E)-prop-1-enyl]-6,7,8,9-tetrahydrobenzo[7]annulen-5-yl] 2-methylprop-2-enoate;(5-prop-2-enyl-6,7,8,9-tetrahydrobenzo[7]annulen-5-yl) 2-methylprop-2-enoate;(5-prop-1-ynyl-6,7,8,9-tetrahydrobenzo[7]annulen-5-yl) 2-methylprop-2-enoate;(5-prop-2-ynyl-6,7,8,9-tetrahydrobenzo[7]annulen-5-yl) 2-methylprop-2-enoate?
(5-butyl-6,7,8,9-tetrahydrobenzo[7]annulen-5-yl) 2-methylprop-2-enoate;(5-tert-butyl-6,7,8,9-tetrahydrobenzo[7]annulen-5-yl) 2-methylprop-2-enoate;(5-cyclobutyl-6,7,8,9-tetrahydrobenzo[7]annulen-5-yl) 2-methylprop-2-enoate;(5-cyclohexyl-6,7,8,9-tetrahydrobenzo[7]annulen-5-yl) 2-methylprop-2-enoate;(5-cyclopentyl-6,7,8,9-tetrahydrobenzo[7]annulen-5-yl) 2-methylprop-2-enoate;(5-cyclopropyl-6,7,8,9-tetrahydrobenzo[7]annulen-5-yl) 2-methylprop-2-enoate;(5-ethenyl-6,7,8,9-tetrahydrobenzo[7]annulen-5-yl) 2-methylprop-2-enoate;(5-ethynyl-6,7,8,9-tetrahydrobenzo[7]annulen-5-yl) 2-methylprop-2-enoate;[5-[(E)-prop-1-enyl]-6,7,8,9-tetrahydrobenzo[7]annulen-5-yl] 2-methylprop-2-enoate;(5-prop-2-enyl-6,7,8,9-tetrahydrobenzo[7]annulen-5-yl) 2-methylprop-2-enoate;(5-prop-1-ynyl-6,7,8,9-tetrahydrobenzo[7]annulen-5-yl) 2-methylprop-2-enoate;(5-prop-2-ynyl-6,7,8,9-tetrahydrobenzo[7]annulen-5-yl) 2-methylprop-2-enoate has a molecular weight of 3326.61 g/mol, XLogP of 51.97, 36 rotatable bonds, 0 hydrogen bond donors, and 24 hydrogen bond acceptors.
Where does this data come from?
All data for (5-butyl-6,7,8,9-tetrahydrobenzo[7]annulen-5-yl) 2-methylprop-2-enoate;(5-tert-butyl-6,7,8,9-tetrahydrobenzo[7]annulen-5-yl) 2-methylprop-2-enoate;(5-cyclobutyl-6,7,8,9-tetrahydrobenzo[7]annulen-5-yl) 2-methylprop-2-enoate;(5-cyclohexyl-6,7,8,9-tetrahydrobenzo[7]annulen-5-yl) 2-methylprop-2-enoate;(5-cyclopentyl-6,7,8,9-tetrahydrobenzo[7]annulen-5-yl) 2-methylprop-2-enoate;(5-cyclopropyl-6,7,8,9-tetrahydrobenzo[7]annulen-5-yl) 2-methylprop-2-enoate;(5-ethenyl-6,7,8,9-tetrahydrobenzo[7]annulen-5-yl) 2-methylprop-2-enoate;(5-ethynyl-6,7,8,9-tetrahydrobenzo[7]annulen-5-yl) 2-methylprop-2-enoate;[5-[(E)-prop-1-enyl]-6,7,8,9-tetrahydrobenzo[7]annulen-5-yl] 2-methylprop-2-enoate;(5-prop-2-enyl-6,7,8,9-tetrahydrobenzo[7]annulen-5-yl) 2-methylprop-2-enoate;(5-prop-1-ynyl-6,7,8,9-tetrahydrobenzo[7]annulen-5-yl) 2-methylprop-2-enoate;(5-prop-2-ynyl-6,7,8,9-tetrahydrobenzo[7]annulen-5-yl) 2-methylprop-2-enoate is sourced from PubChem (CID 159823468), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).