(E)-3-[(4S)-3,7-dimethyl-2,4,5,6,7,7a-hexahydro-1H-inden-4-yl]-2-methylprop-2-enal;(E)-3-[(4S)-3,7-dimethyl-2,4,5,6,7,7a-hexahydro-1H-inden-4-yl]-2-methylprop-2-enoic acid;(Z)-3-[(4S)-3,7-dimethyl-2,4,5,6,7,7a-hexahydro-1H-inden-4-yl]-2-methylprop-2-en-1-ol;(E)-3-[(4S)-3,7-dimethyl-2,4,5,6,7,7a-hexahydro-1H-inden-4-yl]-2-methylprop-2-en-1-ol;[(E)-3-[(4S)-3,7-dimethyl-2,4,5,6,7,7a-hexahydro-1H-inden-4-yl]-2-methylprop-2-enyl] hexanoate;ethyl (E)-3-[(4S)-3,7-dimethyl-2,4,5,6,7,7a-hexahydro-1H-inden-4-yl]-2-methylprop-2-enoate;(E)-3-[(4S)-1-hydroxy-3,7-dimethyl-2,4,5,6,7,7a-hexahydro-1H-inden-4-yl]-2-methylprop-2-enoic acid;methyl (E)-3-[(4S)-3,7-dimethyl-2,4,5,6,7,7a-hexahydro-1H-inden-4-yl]-2-methylprop-2-enoate;methyl (E)-3-[(4S)-1-hydroxy-3,7-dimethyl-2,4,5,6,7,7a-hexahydro-1H-inden-4-yl]-2-methylprop-2-enoate;methyl (E)-2-methyl-3-[(4S)-1,3,7-trimethyl-2,4,5,6,7,7a-hexahydro-1H-inden-4-yl]prop-2-enoate;(E)-2-methyl-3-[(1S,4S)-1,3,7-trimethyl-2,4,5,6,7,7a-hexahydro-1H-inden-4-yl]prop-2-enoic acid;(E)-2-methyl-3-[(4S)-1,3,7-trimethyl-2,4,5,6,7,7a-hexahydro-1H-inden-4-yl]prop-2-enoic acid

C194H296O23 — CID 161176243

About (E)-3-[(4S)-3,7-dimethyl-2,4,5,6,7,7a-hexahydro-1H-inden-4-yl]-2-methylprop-2-enal;(E)-3-[(4S)-3,7-dimethyl-2,4,5,6,7,7a-hexahydro-1H-inden-4-yl]-2-methylprop-2-enoic acid;(Z)-3-[(4S)-3,7-dimethyl-2,4,5,6,7,7a-hexahydro-1H-inden-4-yl]-2-methylprop-2-en-1-ol;(E)-3-[(4S)-3,7-dimethyl-2,4,5,6,7,7a-hexahydro-1H-inden-4-yl]-2-methylprop-2-en-1-ol;[(E)-3-[(4S)-3,7-dimethyl-2,4,5,6,7,7a-hexahydro-1H-inden-4-yl]-2-methylprop-2-enyl] hexanoate;ethyl (E)-3-[(4S)-3,7-dimethyl-2,4,5,6,7,7a-hexahydro-1H-inden-4-yl]-2-methylprop-2-enoate;(E)-3-[(4S)-1-hydroxy-3,7-dimethyl-2,4,5,6,7,7a-hexahydro-1H-inden-4-yl]-2-methylprop-2-enoic acid;methyl (E)-3-[(4S)-3,7-dimethyl-2,4,5,6,7,7a-hexahydro-1H-inden-4-yl]-2-methylprop-2-enoate;methyl (E)-3-[(4S)-1-hydroxy-3,7-dimethyl-2,4,5,6,7,7a-hexahydro-1H-inden-4-yl]-2-methylprop-2-enoate;methyl (E)-2-methyl-3-[(4S)-1,3,7-trimethyl-2,4,5,6,7,7a-hexahydro-1H-inden-4-yl]prop-2-enoate;(E)-2-methyl-3-[(1S,4S)-1,3,7-trimethyl-2,4,5,6,7,7a-hexahydro-1H-inden-4-yl]prop-2-enoic acid;(E)-2-methyl-3-[(4S)-1,3,7-trimethyl-2,4,5,6,7,7a-hexahydro-1H-inden-4-yl]prop-2-enoic acid

(E)-3-[(4S)-3,7-dimethyl-2,4,5,6,7,7a-hexahydro-1H-inden-4-yl]-2-methylprop-2-enal;(E)-3-[(4S)-3,7-dimethyl-2,4,5,6,7,7a-hexahydro-1H-inden-4-yl]-2-methylprop-2-enoic acid;(Z)-3-[(4S)-3,7-dimethyl-2,4,5,6,7,7a-hexahydro-1H-inden-4-yl]-2-methylprop-2-en-1-ol;(E)-3-[(4S)-3,7-dimethyl-2,4,5,6,7,7a-hexahydro-1H-inden-4-yl]-2-methylprop-2-en-1-ol;[(E)-3-[(4S)-3,7-dimethyl-2,4,5,6,7,7a-hexahydro-1H-inden-4-yl]-2-methylprop-2-enyl] hexanoate;ethyl (E)-3-[(4S)-3,7-dimethyl-2,4,5,6,7,7a-hexahydro-1H-inden-4-yl]-2-methylprop-2-enoate;(E)-3-[(4S)-1-hydroxy-3,7-dimethyl-2,4,5,6,7,7a-hexahydro-1H-inden-4-yl]-2-methylprop-2-enoic acid;methyl (E)-3-[(4S)-3,7-dimethyl-2,4,5,6,7,7a-hexahydro-1H-inden-4-yl]-2-methylprop-2-enoate;methyl (E)-3-[(4S)-1-hydroxy-3,7-dimethyl-2,4,5,6,7,7a-hexahydro-1H-inden-4-yl]-2-methylprop-2-enoate;methyl (E)-2-methyl-3-[(4S)-1,3,7-trimethyl-2,4,5,6,7,7a-hexahydro-1H-inden-4-yl]prop-2-enoate;(E)-2-methyl-3-[(1S,4S)-1,3,7-trimethyl-2,4,5,6,7,7a-hexahydro-1H-inden-4-yl]prop-2-enoic acid;(E)-2-methyl-3-[(4S)-1,3,7-trimethyl-2,4,5,6,7,7a-hexahydro-1H-inden-4-yl]prop-2-enoic acid (PubChem CID 161176243) has the molecular formula C194H296O23 and a molecular weight of 2996.48 g/mol. Its IUPAC name is (E)-3-[(4S)-3,7-dimethyl-2,4,5,6,7,7a-hexahydro-1H-inden-4-yl]-2-methylprop-2-enal;(E)-3-[(4S)-3,7-dimethyl-2,4,5,6,7,7a-hexahydro-1H-inden-4-yl]-2-methylprop-2-enoic acid;(Z)-3-[(4S)-3,7-dimethyl-2,4,5,6,7,7a-hexahydro-1H-inden-4-yl]-2-methylprop-2-en-1-ol;(E)-3-[(4S)-3,7-dimethyl-2,4,5,6,7,7a-hexahydro-1H-inden-4-yl]-2-methylprop-2-en-1-ol;[(E)-3-[(4S)-3,7-dimethyl-2,4,5,6,7,7a-hexahydro-1H-inden-4-yl]-2-methylprop-2-enyl] hexanoate;ethyl (E)-3-[(4S)-3,7-dimethyl-2,4,5,6,7,7a-hexahydro-1H-inden-4-yl]-2-methylprop-2-enoate;(E)-3-[(4S)-1-hydroxy-3,7-dimethyl-2,4,5,6,7,7a-hexahydro-1H-inden-4-yl]-2-methylprop-2-enoic acid;methyl (E)-3-[(4S)-3,7-dimethyl-2,4,5,6,7,7a-hexahydro-1H-inden-4-yl]-2-methylprop-2-enoate;methyl (E)-3-[(4S)-1-hydroxy-3,7-dimethyl-2,4,5,6,7,7a-hexahydro-1H-inden-4-yl]-2-methylprop-2-enoate;methyl (E)-2-methyl-3-[(4S)-1,3,7-trimethyl-2,4,5,6,7,7a-hexahydro-1H-inden-4-yl]prop-2-enoate;(E)-2-methyl-3-[(1S,4S)-1,3,7-trimethyl-2,4,5,6,7,7a-hexahydro-1H-inden-4-yl]prop-2-enoic acid;(E)-2-methyl-3-[(4S)-1,3,7-trimethyl-2,4,5,6,7,7a-hexahydro-1H-inden-4-yl]prop-2-enoic acid.

Molecular Properties

• Compound Name: (E)-3-[(4S)-3,7-dimethyl-2,4,5,6,7,7a-hexahydro-1H-inden-4-yl]-2-methylprop-2-enal;(E)-3-[(4S)-3,7-dimethyl-2,4,5,6,7,7a-hexahydro-1H-inden-4-yl]-2-methylprop-2-enoic acid;(Z)-3-[(4S)-3,7-dimethyl-2,4,5,6,7,7a-hexahydro-1H-inden-4-yl]-2-methylprop-2-en-1-ol;(E)-3-[(4S)-3,7-dimethyl-2,4,5,6,7,7a-hexahydro-1H-inden-4-yl]-2-methylprop-2-en-1-ol;[(E)-3-[(4S)-3,7-dimethyl-2,4,5,6,7,7a-hexahydro-1H-inden-4-yl]-2-methylprop-2-enyl] hexanoate;ethyl (E)-3-[(4S)-3,7-dimethyl-2,4,5,6,7,7a-hexahydro-1H-inden-4-yl]-2-methylprop-2-enoate;(E)-3-[(4S)-1-hydroxy-3,7-dimethyl-2,4,5,6,7,7a-hexahydro-1H-inden-4-yl]-2-methylprop-2-enoic acid;methyl (E)-3-[(4S)-3,7-dimethyl-2,4,5,6,7,7a-hexahydro-1H-inden-4-yl]-2-methylprop-2-enoate;methyl (E)-3-[(4S)-1-hydroxy-3,7-dimethyl-2,4,5,6,7,7a-hexahydro-1H-inden-4-yl]-2-methylprop-2-enoate;methyl (E)-2-methyl-3-[(4S)-1,3,7-trimethyl-2,4,5,6,7,7a-hexahydro-1H-inden-4-yl]prop-2-enoate;(E)-2-methyl-3-[(1S,4S)-1,3,7-trimethyl-2,4,5,6,7,7a-hexahydro-1H-inden-4-yl]prop-2-enoic acid;(E)-2-methyl-3-[(4S)-1,3,7-trimethyl-2,4,5,6,7,7a-hexahydro-1H-inden-4-yl]prop-2-enoic acid
• PubChem CID: 161176243
• Molecular Formula: C194H296O23
• Molecular Weight: 2996.48 g/mol
• Exact Mass: 2994.20
• IUPAC Name: (E)-3-[(4S)-3,7-dimethyl-2,4,5,6,7,7a-hexahydro-1H-inden-4-yl]-2-methylprop-2-enal;(E)-3-[(4S)-3,7-dimethyl-2,4,5,6,7,7a-hexahydro-1H-inden-4-yl]-2-methylprop-2-enoic acid;(Z)-3-[(4S)-3,7-dimethyl-2,4,5,6,7,7a-hexahydro-1H-inden-4-yl]-2-methylprop-2-en-1-ol;(E)-3-[(4S)-3,7-dimethyl-2,4,5,6,7,7a-hexahydro-1H-inden-4-yl]-2-methylprop-2-en-1-ol;[(E)-3-[(4S)-3,7-dimethyl-2,4,5,6,7,7a-hexahydro-1H-inden-4-yl]-2-methylprop-2-enyl] hexanoate;ethyl (E)-3-[(4S)-3,7-dimethyl-2,4,5,6,7,7a-hexahydro-1H-inden-4-yl]-2-methylprop-2-enoate;(E)-3-[(4S)-1-hydroxy-3,7-dimethyl-2,4,5,6,7,7a-hexahydro-1H-inden-4-yl]-2-methylprop-2-enoic acid;methyl (E)-3-[(4S)-3,7-dimethyl-2,4,5,6,7,7a-hexahydro-1H-inden-4-yl]-2-methylprop-2-enoate;methyl (E)-3-[(4S)-1-hydroxy-3,7-dimethyl-2,4,5,6,7,7a-hexahydro-1H-inden-4-yl]-2-methylprop-2-enoate;methyl (E)-2-methyl-3-[(4S)-1,3,7-trimethyl-2,4,5,6,7,7a-hexahydro-1H-inden-4-yl]prop-2-enoate;(E)-2-methyl-3-[(1S,4S)-1,3,7-trimethyl-2,4,5,6,7,7a-hexahydro-1H-inden-4-yl]prop-2-enoic acid;(E)-2-methyl-3-[(4S)-1,3,7-trimethyl-2,4,5,6,7,7a-hexahydro-1H-inden-4-yl]prop-2-enoic acid
• SMILES: CC1=C2C(C(C)CC[C@H]2/C=C(\C)C(=O)O)C(C)C1.CC1=C2C(C(C)CC[C@H]2/C=C(\C)C(=O)O)C(O)C1.CC1=C2C(C(C)CC[C@H]2/C=C(\C)C(=O)O)[C@@H](C)C1.CC1=C2C(CC1)C(C)CC[C@H]2/C=C(/C)CO.CC1=C2C(CC1)C(C)CC[C@H]2/C=C(\C)C(=O)O.CC1=C2C(CC1)C(C)CC[C@H]2/C=C(\C)C=O.CC1=C2C(CC1)C(C)CC[C@H]2/C=C(\C)CO.CCCCCC(=O)OC/C(C)=C/[C@@H]1CCC(C)C2CCC(C)=C21.CCOC(=O)/C(C)=C/[C@@H]1CCC(C)C2CCC(C)=C21.COC(=O)/C(C)=C/[C@@H]1CCC(C)C2C1=C(C)CC2C.COC(=O)/C(C)=C/[C@@H]1CCC(C)C2C1=C(C)CC2O.COC(=O)/C(C)=C/[C@@H]1CCC(C)C2CCC(C)=C21
• InChI: InChI=1S/C21H34O2.2C17H26O2.C16H24O3.3C16H24O2.C15H22O3.C15H22O2.2C15H24O.C15H22O/c1-5-6-7-8-20(22)23-14-15(2)13-18-11-9-16(3)19-12-10-17(4)21(18)19;1-10-6-7-14(9-13(4)17(18)19-5)16-12(3)8-11(2)15(10)16;1-5-19-17(18)13(4)10-14-8-6-11(2)15-9-7-12(3)16(14)15;1-9-5-6-12(7-11(3)16(18)19-4)14-10(2)8-13(17)15(9)14;1-10-5-7-13(9-12(3)16(17)18-4)15-11(2)6-8-14(10)15;2*1-9-5-6-13(8-12(4)16(17)18)15-11(3)7-10(2)14(9)15;1-8-4-5-11(6-10(3)15(17)18)13-9(2)7-12(16)14(8)13;1-9-4-6-12(8-11(3)15(16)17)14-10(2)5-7-13(9)14;3*1-10(9-16)8-13-6-4-11(2)14-7-5-12(3)15(13)14/h13,16,18-19H,5-12,14H2,1-4H3;9-11,14-15H,6-8H2,1-5H3;10-11,14-15H,5-9H2,1-4H3;7,9,12-13,15,17H,5-6,8H2,1-4H3;9-10,13-14H,5-8H2,1-4H3;2*8-10,13-14H,5-7H2,1-4H3,(H,17,18);6,8,11-12,14,16H,4-5,7H2,1-3H3,(H,17,18);8-9,12-13H,4-7H2,1-3H3,(H,16,17);2*8,11,13-14,16H,4-7,9H2,1-3H3;8-9,11,13-14H,4-7H2,1-3H3/b15-13+;13-9+;13-10+;11-7+;12-9+;2*12-8+;10-6+;11-8+;10-8+;10-8-;10-8+/t16?,18-,19?;10?,11?,14-,15?;11?,14-,15?;9?,12-,13?,15?;10?,13-,14?;9?,10?,13-,14?;9?,10-,13-,14?;8?,11-,12?,14?;9?,12-,13?;3*11?,13-,14?/m000000000000/s1
• InChIKey: URVRUDNXEXWZHA-JZODZHAESA-N
• XLogP: 46.87
• TPSA: 378.69 Ų
• H-Bond Donors: 8
• H-Bond Acceptors: 19
• Rotatable Bonds: 30
• Heavy Atoms: 217
• Complexity: —

Lipinski Rule of Five

4 violations

Rule	Value
MW ≤ 500	2996.48
LogP ≤ 5	46.87
H-Bond Donors ≤ 5	8
H-Bond Acceptors ≤ 10	19

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of (E)-3-[(4S)-3,7-dimethyl-2,4,5,6,7,7a-hexahydro-1H-inden-4-yl]-2-methylprop-2-enal;(E)-3-[(4S)-3,7-dimethyl-2,4,5,6,7,7a-hexahydro-1H-inden-4-yl]-2-methylprop-2-enoic acid;(Z)-3-[(4S)-3,7-dimethyl-2,4,5,6,7,7a-hexahydro-1H-inden-4-yl]-2-methylprop-2-en-1-ol;(E)-3-[(4S)-3,7-dimethyl-2,4,5,6,7,7a-hexahydro-1H-inden-4-yl]-2-methylprop-2-en-1-ol;[(E)-3-[(4S)-3,7-dimethyl-2,4,5,6,7,7a-hexahydro-1H-inden-4-yl]-2-methylprop-2-enyl] hexanoate;ethyl (E)-3-[(4S)-3,7-dimethyl-2,4,5,6,7,7a-hexahydro-1H-inden-4-yl]-2-methylprop-2-enoate;(E)-3-[(4S)-1-hydroxy-3,7-dimethyl-2,4,5,6,7,7a-hexahydro-1H-inden-4-yl]-2-methylprop-2-enoic acid;methyl (E)-3-[(4S)-3,7-dimethyl-2,4,5,6,7,7a-hexahydro-1H-inden-4-yl]-2-methylprop-2-enoate;methyl (E)-3-[(4S)-1-hydroxy-3,7-dimethyl-2,4,5,6,7,7a-hexahydro-1H-inden-4-yl]-2-methylprop-2-enoate;methyl (E)-2-methyl-3-[(4S)-1,3,7-trimethyl-2,4,5,6,7,7a-hexahydro-1H-inden-4-yl]prop-2-enoate;(E)-2-methyl-3-[(1S,4S)-1,3,7-trimethyl-2,4,5,6,7,7a-hexahydro-1H-inden-4-yl]prop-2-enoic acid;(E)-2-methyl-3-[(4S)-1,3,7-trimethyl-2,4,5,6,7,7a-hexahydro-1H-inden-4-yl]prop-2-enoic acid?

The IUPAC name of (E)-3-[(4S)-3,7-dimethyl-2,4,5,6,7,7a-hexahydro-1H-inden-4-yl]-2-methylprop-2-enal;(E)-3-[(4S)-3,7-dimethyl-2,4,5,6,7,7a-hexahydro-1H-inden-4-yl]-2-methylprop-2-enoic acid;(Z)-3-[(4S)-3,7-dimethyl-2,4,5,6,7,7a-hexahydro-1H-inden-4-yl]-2-methylprop-2-en-1-ol;(E)-3-[(4S)-3,7-dimethyl-2,4,5,6,7,7a-hexahydro-1H-inden-4-yl]-2-methylprop-2-en-1-ol;[(E)-3-[(4S)-3,7-dimethyl-2,4,5,6,7,7a-hexahydro-1H-inden-4-yl]-2-methylprop-2-enyl] hexanoate;ethyl (E)-3-[(4S)-3,7-dimethyl-2,4,5,6,7,7a-hexahydro-1H-inden-4-yl]-2-methylprop-2-enoate;(E)-3-[(4S)-1-hydroxy-3,7-dimethyl-2,4,5,6,7,7a-hexahydro-1H-inden-4-yl]-2-methylprop-2-enoic acid;methyl (E)-3-[(4S)-3,7-dimethyl-2,4,5,6,7,7a-hexahydro-1H-inden-4-yl]-2-methylprop-2-enoate;methyl (E)-3-[(4S)-1-hydroxy-3,7-dimethyl-2,4,5,6,7,7a-hexahydro-1H-inden-4-yl]-2-methylprop-2-enoate;methyl (E)-2-methyl-3-[(4S)-1,3,7-trimethyl-2,4,5,6,7,7a-hexahydro-1H-inden-4-yl]prop-2-enoate;(E)-2-methyl-3-[(1S,4S)-1,3,7-trimethyl-2,4,5,6,7,7a-hexahydro-1H-inden-4-yl]prop-2-enoic acid;(E)-2-methyl-3-[(4S)-1,3,7-trimethyl-2,4,5,6,7,7a-hexahydro-1H-inden-4-yl]prop-2-enoic acid (CID 161176243) is (E)-3-[(4S)-3,7-dimethyl-2,4,5,6,7,7a-hexahydro-1H-inden-4-yl]-2-methylprop-2-enal;(E)-3-[(4S)-3,7-dimethyl-2,4,5,6,7,7a-hexahydro-1H-inden-4-yl]-2-methylprop-2-enoic acid;(Z)-3-[(4S)-3,7-dimethyl-2,4,5,6,7,7a-hexahydro-1H-inden-4-yl]-2-methylprop-2-en-1-ol;(E)-3-[(4S)-3,7-dimethyl-2,4,5,6,7,7a-hexahydro-1H-inden-4-yl]-2-methylprop-2-en-1-ol;[(E)-3-[(4S)-3,7-dimethyl-2,4,5,6,7,7a-hexahydro-1H-inden-4-yl]-2-methylprop-2-enyl] hexanoate;ethyl (E)-3-[(4S)-3,7-dimethyl-2,4,5,6,7,7a-hexahydro-1H-inden-4-yl]-2-methylprop-2-enoate;(E)-3-[(4S)-1-hydroxy-3,7-dimethyl-2,4,5,6,7,7a-hexahydro-1H-inden-4-yl]-2-methylprop-2-enoic acid;methyl (E)-3-[(4S)-3,7-dimethyl-2,4,5,6,7,7a-hexahydro-1H-inden-4-yl]-2-methylprop-2-enoate;methyl (E)-3-[(4S)-1-hydroxy-3,7-dimethyl-2,4,5,6,7,7a-hexahydro-1H-inden-4-yl]-2-methylprop-2-enoate;methyl (E)-2-methyl-3-[(4S)-1,3,7-trimethyl-2,4,5,6,7,7a-hexahydro-1H-inden-4-yl]prop-2-enoate;(E)-2-methyl-3-[(1S,4S)-1,3,7-trimethyl-2,4,5,6,7,7a-hexahydro-1H-inden-4-yl]prop-2-enoic acid;(E)-2-methyl-3-[(4S)-1,3,7-trimethyl-2,4,5,6,7,7a-hexahydro-1H-inden-4-yl]prop-2-enoic acid.

What is the SMILES notation for (E)-3-[(4S)-3,7-dimethyl-2,4,5,6,7,7a-hexahydro-1H-inden-4-yl]-2-methylprop-2-enal;(E)-3-[(4S)-3,7-dimethyl-2,4,5,6,7,7a-hexahydro-1H-inden-4-yl]-2-methylprop-2-enoic acid;(Z)-3-[(4S)-3,7-dimethyl-2,4,5,6,7,7a-hexahydro-1H-inden-4-yl]-2-methylprop-2-en-1-ol;(E)-3-[(4S)-3,7-dimethyl-2,4,5,6,7,7a-hexahydro-1H-inden-4-yl]-2-methylprop-2-en-1-ol;[(E)-3-[(4S)-3,7-dimethyl-2,4,5,6,7,7a-hexahydro-1H-inden-4-yl]-2-methylprop-2-enyl] hexanoate;ethyl (E)-3-[(4S)-3,7-dimethyl-2,4,5,6,7,7a-hexahydro-1H-inden-4-yl]-2-methylprop-2-enoate;(E)-3-[(4S)-1-hydroxy-3,7-dimethyl-2,4,5,6,7,7a-hexahydro-1H-inden-4-yl]-2-methylprop-2-enoic acid;methyl (E)-3-[(4S)-3,7-dimethyl-2,4,5,6,7,7a-hexahydro-1H-inden-4-yl]-2-methylprop-2-enoate;methyl (E)-3-[(4S)-1-hydroxy-3,7-dimethyl-2,4,5,6,7,7a-hexahydro-1H-inden-4-yl]-2-methylprop-2-enoate;methyl (E)-2-methyl-3-[(4S)-1,3,7-trimethyl-2,4,5,6,7,7a-hexahydro-1H-inden-4-yl]prop-2-enoate;(E)-2-methyl-3-[(1S,4S)-1,3,7-trimethyl-2,4,5,6,7,7a-hexahydro-1H-inden-4-yl]prop-2-enoic acid;(E)-2-methyl-3-[(4S)-1,3,7-trimethyl-2,4,5,6,7,7a-hexahydro-1H-inden-4-yl]prop-2-enoic acid?

The canonical SMILES for (E)-3-[(4S)-3,7-dimethyl-2,4,5,6,7,7a-hexahydro-1H-inden-4-yl]-2-methylprop-2-enal;(E)-3-[(4S)-3,7-dimethyl-2,4,5,6,7,7a-hexahydro-1H-inden-4-yl]-2-methylprop-2-enoic acid;(Z)-3-[(4S)-3,7-dimethyl-2,4,5,6,7,7a-hexahydro-1H-inden-4-yl]-2-methylprop-2-en-1-ol;(E)-3-[(4S)-3,7-dimethyl-2,4,5,6,7,7a-hexahydro-1H-inden-4-yl]-2-methylprop-2-en-1-ol;[(E)-3-[(4S)-3,7-dimethyl-2,4,5,6,7,7a-hexahydro-1H-inden-4-yl]-2-methylprop-2-enyl] hexanoate;ethyl (E)-3-[(4S)-3,7-dimethyl-2,4,5,6,7,7a-hexahydro-1H-inden-4-yl]-2-methylprop-2-enoate;(E)-3-[(4S)-1-hydroxy-3,7-dimethyl-2,4,5,6,7,7a-hexahydro-1H-inden-4-yl]-2-methylprop-2-enoic acid;methyl (E)-3-[(4S)-3,7-dimethyl-2,4,5,6,7,7a-hexahydro-1H-inden-4-yl]-2-methylprop-2-enoate;methyl (E)-3-[(4S)-1-hydroxy-3,7-dimethyl-2,4,5,6,7,7a-hexahydro-1H-inden-4-yl]-2-methylprop-2-enoate;methyl (E)-2-methyl-3-[(4S)-1,3,7-trimethyl-2,4,5,6,7,7a-hexahydro-1H-inden-4-yl]prop-2-enoate;(E)-2-methyl-3-[(1S,4S)-1,3,7-trimethyl-2,4,5,6,7,7a-hexahydro-1H-inden-4-yl]prop-2-enoic acid;(E)-2-methyl-3-[(4S)-1,3,7-trimethyl-2,4,5,6,7,7a-hexahydro-1H-inden-4-yl]prop-2-enoic acid is CC1=C2C(C(C)CC[C@H]2/C=C(\C)C(=O)O)C(C)C1.CC1=C2C(C(C)CC[C@H]2/C=C(\C)C(=O)O)C(O)C1.CC1=C2C(C(C)CC[C@H]2/C=C(\C)C(=O)O)[C@@H](C)C1.CC1=C2C(CC1)C(C)CC[C@H]2/C=C(/C)CO.CC1=C2C(CC1)C(C)CC[C@H]2/C=C(\C)C(=O)O.CC1=C2C(CC1)C(C)CC[C@H]2/C=C(\C)C=O.CC1=C2C(CC1)C(C)CC[C@H]2/C=C(\C)CO.CCCCCC(=O)OC/C(C)=C/[C@@H]1CCC(C)C2CCC(C)=C21.CCOC(=O)/C(C)=C/[C@@H]1CCC(C)C2CCC(C)=C21.COC(=O)/C(C)=C/[C@@H]1CCC(C)C2C1=C(C)CC2C.COC(=O)/C(C)=C/[C@@H]1CCC(C)C2C1=C(C)CC2O.COC(=O)/C(C)=C/[C@@H]1CCC(C)C2CCC(C)=C21.

What is the InChIKey of (E)-3-[(4S)-3,7-dimethyl-2,4,5,6,7,7a-hexahydro-1H-inden-4-yl]-2-methylprop-2-enal;(E)-3-[(4S)-3,7-dimethyl-2,4,5,6,7,7a-hexahydro-1H-inden-4-yl]-2-methylprop-2-enoic acid;(Z)-3-[(4S)-3,7-dimethyl-2,4,5,6,7,7a-hexahydro-1H-inden-4-yl]-2-methylprop-2-en-1-ol;(E)-3-[(4S)-3,7-dimethyl-2,4,5,6,7,7a-hexahydro-1H-inden-4-yl]-2-methylprop-2-en-1-ol;[(E)-3-[(4S)-3,7-dimethyl-2,4,5,6,7,7a-hexahydro-1H-inden-4-yl]-2-methylprop-2-enyl] hexanoate;ethyl (E)-3-[(4S)-3,7-dimethyl-2,4,5,6,7,7a-hexahydro-1H-inden-4-yl]-2-methylprop-2-enoate;(E)-3-[(4S)-1-hydroxy-3,7-dimethyl-2,4,5,6,7,7a-hexahydro-1H-inden-4-yl]-2-methylprop-2-enoic acid;methyl (E)-3-[(4S)-3,7-dimethyl-2,4,5,6,7,7a-hexahydro-1H-inden-4-yl]-2-methylprop-2-enoate;methyl (E)-3-[(4S)-1-hydroxy-3,7-dimethyl-2,4,5,6,7,7a-hexahydro-1H-inden-4-yl]-2-methylprop-2-enoate;methyl (E)-2-methyl-3-[(4S)-1,3,7-trimethyl-2,4,5,6,7,7a-hexahydro-1H-inden-4-yl]prop-2-enoate;(E)-2-methyl-3-[(1S,4S)-1,3,7-trimethyl-2,4,5,6,7,7a-hexahydro-1H-inden-4-yl]prop-2-enoic acid;(E)-2-methyl-3-[(4S)-1,3,7-trimethyl-2,4,5,6,7,7a-hexahydro-1H-inden-4-yl]prop-2-enoic acid?

The InChIKey is URVRUDNXEXWZHA-JZODZHAESA-N. The full InChI is InChI=1S/C21H34O2.2C17H26O2.C16H24O3.3C16H24O2.C15H22O3.C15H22O2.2C15H24O.C15H22O/c1-5-6-7-8-20(22)23-14-15(2)13-18-11-9-16(3)19-12-10-17(4)21(18)19;1-10-6-7-14(9-13(4)17(18)19-5)16-12(3)8-11(2)15(10)16;1-5-19-17(18)13(4)10-14-8-6-11(2)15-9-7-12(3)16(14)15;1-9-5-6-12(7-11(3)16(18)19-4)14-10(2)8-13(17)15(9)14;1-10-5-7-13(9-12(3)16(17)18-4)15-11(2)6-8-14(10)15;2*1-9-5-6-13(8-12(4)16(17)18)15-11(3)7-10(2)14(9)15;1-8-4-5-11(6-10(3)15(17)18)13-9(2)7-12(16)14(8)13;1-9-4-6-12(8-11(3)15(16)17)14-10(2)5-7-13(9)14;3*1-10(9-16)8-13-6-4-11(2)14-7-5-12(3)15(13)14/h13,16,18-19H,5-12,14H2,1-4H3;9-11,14-15H,6-8H2,1-5H3;10-11,14-15H,5-9H2,1-4H3;7,9,12-13,15,17H,5-6,8H2,1-4H3;9-10,13-14H,5-8H2,1-4H3;2*8-10,13-14H,5-7H2,1-4H3,(H,17,18);6,8,11-12,14,16H,4-5,7H2,1-3H3,(H,17,18);8-9,12-13H,4-7H2,1-3H3,(H,16,17);2*8,11,13-14,16H,4-7,9H2,1-3H3;8-9,11,13-14H,4-7H2,1-3H3/b15-13+;13-9+;13-10+;11-7+;12-9+;2*12-8+;10-6+;11-8+;10-8+;10-8-;10-8+/t16?,18-,19?;10?,11?,14-,15?;11?,14-,15?;9?,12-,13?,15?;10?,13-,14?;9?,10?,13-,14?;9?,10-,13-,14?;8?,11-,12?,14?;9?,12-,13?;3*11?,13-,14?/m000000000000/s1.

What are the key properties of (E)-3-[(4S)-3,7-dimethyl-2,4,5,6,7,7a-hexahydro-1H-inden-4-yl]-2-methylprop-2-enal;(E)-3-[(4S)-3,7-dimethyl-2,4,5,6,7,7a-hexahydro-1H-inden-4-yl]-2-methylprop-2-enoic acid;(Z)-3-[(4S)-3,7-dimethyl-2,4,5,6,7,7a-hexahydro-1H-inden-4-yl]-2-methylprop-2-en-1-ol;(E)-3-[(4S)-3,7-dimethyl-2,4,5,6,7,7a-hexahydro-1H-inden-4-yl]-2-methylprop-2-en-1-ol;[(E)-3-[(4S)-3,7-dimethyl-2,4,5,6,7,7a-hexahydro-1H-inden-4-yl]-2-methylprop-2-enyl] hexanoate;ethyl (E)-3-[(4S)-3,7-dimethyl-2,4,5,6,7,7a-hexahydro-1H-inden-4-yl]-2-methylprop-2-enoate;(E)-3-[(4S)-1-hydroxy-3,7-dimethyl-2,4,5,6,7,7a-hexahydro-1H-inden-4-yl]-2-methylprop-2-enoic acid;methyl (E)-3-[(4S)-3,7-dimethyl-2,4,5,6,7,7a-hexahydro-1H-inden-4-yl]-2-methylprop-2-enoate;methyl (E)-3-[(4S)-1-hydroxy-3,7-dimethyl-2,4,5,6,7,7a-hexahydro-1H-inden-4-yl]-2-methylprop-2-enoate;methyl (E)-2-methyl-3-[(4S)-1,3,7-trimethyl-2,4,5,6,7,7a-hexahydro-1H-inden-4-yl]prop-2-enoate;(E)-2-methyl-3-[(1S,4S)-1,3,7-trimethyl-2,4,5,6,7,7a-hexahydro-1H-inden-4-yl]prop-2-enoic acid;(E)-2-methyl-3-[(4S)-1,3,7-trimethyl-2,4,5,6,7,7a-hexahydro-1H-inden-4-yl]prop-2-enoic acid?

(E)-3-[(4S)-3,7-dimethyl-2,4,5,6,7,7a-hexahydro-1H-inden-4-yl]-2-methylprop-2-enal;(E)-3-[(4S)-3,7-dimethyl-2,4,5,6,7,7a-hexahydro-1H-inden-4-yl]-2-methylprop-2-enoic acid;(Z)-3-[(4S)-3,7-dimethyl-2,4,5,6,7,7a-hexahydro-1H-inden-4-yl]-2-methylprop-2-en-1-ol;(E)-3-[(4S)-3,7-dimethyl-2,4,5,6,7,7a-hexahydro-1H-inden-4-yl]-2-methylprop-2-en-1-ol;[(E)-3-[(4S)-3,7-dimethyl-2,4,5,6,7,7a-hexahydro-1H-inden-4-yl]-2-methylprop-2-enyl] hexanoate;ethyl (E)-3-[(4S)-3,7-dimethyl-2,4,5,6,7,7a-hexahydro-1H-inden-4-yl]-2-methylprop-2-enoate;(E)-3-[(4S)-1-hydroxy-3,7-dimethyl-2,4,5,6,7,7a-hexahydro-1H-inden-4-yl]-2-methylprop-2-enoic acid;methyl (E)-3-[(4S)-3,7-dimethyl-2,4,5,6,7,7a-hexahydro-1H-inden-4-yl]-2-methylprop-2-enoate;methyl (E)-3-[(4S)-1-hydroxy-3,7-dimethyl-2,4,5,6,7,7a-hexahydro-1H-inden-4-yl]-2-methylprop-2-enoate;methyl (E)-2-methyl-3-[(4S)-1,3,7-trimethyl-2,4,5,6,7,7a-hexahydro-1H-inden-4-yl]prop-2-enoate;(E)-2-methyl-3-[(1S,4S)-1,3,7-trimethyl-2,4,5,6,7,7a-hexahydro-1H-inden-4-yl]prop-2-enoic acid;(E)-2-methyl-3-[(4S)-1,3,7-trimethyl-2,4,5,6,7,7a-hexahydro-1H-inden-4-yl]prop-2-enoic acid has a molecular weight of 2996.48 g/mol, XLogP of 46.87, 30 rotatable bonds, 8 hydrogen bond donors, and 19 hydrogen bond acceptors.

Where does this data come from?

All data for (E)-3-[(4S)-3,7-dimethyl-2,4,5,6,7,7a-hexahydro-1H-inden-4-yl]-2-methylprop-2-enal;(E)-3-[(4S)-3,7-dimethyl-2,4,5,6,7,7a-hexahydro-1H-inden-4-yl]-2-methylprop-2-enoic acid;(Z)-3-[(4S)-3,7-dimethyl-2,4,5,6,7,7a-hexahydro-1H-inden-4-yl]-2-methylprop-2-en-1-ol;(E)-3-[(4S)-3,7-dimethyl-2,4,5,6,7,7a-hexahydro-1H-inden-4-yl]-2-methylprop-2-en-1-ol;[(E)-3-[(4S)-3,7-dimethyl-2,4,5,6,7,7a-hexahydro-1H-inden-4-yl]-2-methylprop-2-enyl] hexanoate;ethyl (E)-3-[(4S)-3,7-dimethyl-2,4,5,6,7,7a-hexahydro-1H-inden-4-yl]-2-methylprop-2-enoate;(E)-3-[(4S)-1-hydroxy-3,7-dimethyl-2,4,5,6,7,7a-hexahydro-1H-inden-4-yl]-2-methylprop-2-enoic acid;methyl (E)-3-[(4S)-3,7-dimethyl-2,4,5,6,7,7a-hexahydro-1H-inden-4-yl]-2-methylprop-2-enoate;methyl (E)-3-[(4S)-1-hydroxy-3,7-dimethyl-2,4,5,6,7,7a-hexahydro-1H-inden-4-yl]-2-methylprop-2-enoate;methyl (E)-2-methyl-3-[(4S)-1,3,7-trimethyl-2,4,5,6,7,7a-hexahydro-1H-inden-4-yl]prop-2-enoate;(E)-2-methyl-3-[(1S,4S)-1,3,7-trimethyl-2,4,5,6,7,7a-hexahydro-1H-inden-4-yl]prop-2-enoic acid;(E)-2-methyl-3-[(4S)-1,3,7-trimethyl-2,4,5,6,7,7a-hexahydro-1H-inden-4-yl]prop-2-enoic acid is sourced from PubChem (CID 161176243), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).