[2-(ethenoxymethyl)-3-[6-[4-(4-pentylcyclohexyl)phenyl]naphthalen-2-yl]propyl] 2-(hydroxymethyl)prop-2-enoate;[6-[4-[4-(3-ethyl-6-pentylnaphthalen-2-yl)cyclohexyl]cyclohexyl]-3-[2-[2-(hydroxymethyl)prop-2-enoyloxy]ethyl]hexyl] 2-methylidenebutanoate;[3-[2-[2-(hydroxymethyl)prop-2-enoyloxy]ethyl]-6-[4-[4-(6-pentylnaphthalen-2-yl)cyclohex-3-en-1-yl]cyclohexyl]hexyl] 2-methylidenebutanoate;[3-(2-methylprop-2-enoyloxy)-4-[4-[4-(6-pentylnaphthalen-2-yl)cyclohexyl]cyclohexyl]butyl] 2-(hydroxymethyl)prop-2-enoate;[3-(oxiran-2-ylmethyl)-6-[4-[4-(6-pentylnaphthalen-2-yl)cyclohexyl]cyclohexyl]hexyl] 2-(hydroxymethyl)prop-2-enoate

C206H288O23 — CID 158502917

About [2-(ethenoxymethyl)-3-[6-[4-(4-pentylcyclohexyl)phenyl]naphthalen-2-yl]propyl] 2-(hydroxymethyl)prop-2-enoate;[6-[4-[4-(3-ethyl-6-pentylnaphthalen-2-yl)cyclohexyl]cyclohexyl]-3-[2-[2-(hydroxymethyl)prop-2-enoyloxy]ethyl]hexyl] 2-methylidenebutanoate;[3-[2-[2-(hydroxymethyl)prop-2-enoyloxy]ethyl]-6-[4-[4-(6-pentylnaphthalen-2-yl)cyclohex-3-en-1-yl]cyclohexyl]hexyl] 2-methylidenebutanoate;[3-(2-methylprop-2-enoyloxy)-4-[4-[4-(6-pentylnaphthalen-2-yl)cyclohexyl]cyclohexyl]butyl] 2-(hydroxymethyl)prop-2-enoate;[3-(oxiran-2-ylmethyl)-6-[4-[4-(6-pentylnaphthalen-2-yl)cyclohexyl]cyclohexyl]hexyl] 2-(hydroxymethyl)prop-2-enoate

[2-(ethenoxymethyl)-3-[6-[4-(4-pentylcyclohexyl)phenyl]naphthalen-2-yl]propyl] 2-(hydroxymethyl)prop-2-enoate;[6-[4-[4-(3-ethyl-6-pentylnaphthalen-2-yl)cyclohexyl]cyclohexyl]-3-[2-[2-(hydroxymethyl)prop-2-enoyloxy]ethyl]hexyl] 2-methylidenebutanoate;[3-[2-[2-(hydroxymethyl)prop-2-enoyloxy]ethyl]-6-[4-[4-(6-pentylnaphthalen-2-yl)cyclohex-3-en-1-yl]cyclohexyl]hexyl] 2-methylidenebutanoate;[3-(2-methylprop-2-enoyloxy)-4-[4-[4-(6-pentylnaphthalen-2-yl)cyclohexyl]cyclohexyl]butyl] 2-(hydroxymethyl)prop-2-enoate;[3-(oxiran-2-ylmethyl)-6-[4-[4-(6-pentylnaphthalen-2-yl)cyclohexyl]cyclohexyl]hexyl] 2-(hydroxymethyl)prop-2-enoate (PubChem CID 158502917) has the molecular formula C206H288O23 and a molecular weight of 3132.55 g/mol. Its IUPAC name is [2-(ethenoxymethyl)-3-[6-[4-(4-pentylcyclohexyl)phenyl]naphthalen-2-yl]propyl] 2-(hydroxymethyl)prop-2-enoate;[6-[4-[4-(3-ethyl-6-pentylnaphthalen-2-yl)cyclohexyl]cyclohexyl]-3-[2-[2-(hydroxymethyl)prop-2-enoyloxy]ethyl]hexyl] 2-methylidenebutanoate;[3-[2-[2-(hydroxymethyl)prop-2-enoyloxy]ethyl]-6-[4-[4-(6-pentylnaphthalen-2-yl)cyclohex-3-en-1-yl]cyclohexyl]hexyl] 2-methylidenebutanoate;[3-(2-methylprop-2-enoyloxy)-4-[4-[4-(6-pentylnaphthalen-2-yl)cyclohexyl]cyclohexyl]butyl] 2-(hydroxymethyl)prop-2-enoate;[3-(oxiran-2-ylmethyl)-6-[4-[4-(6-pentylnaphthalen-2-yl)cyclohexyl]cyclohexyl]hexyl] 2-(hydroxymethyl)prop-2-enoate.

Molecular Properties

• Compound Name: [2-(ethenoxymethyl)-3-[6-[4-(4-pentylcyclohexyl)phenyl]naphthalen-2-yl]propyl] 2-(hydroxymethyl)prop-2-enoate;[6-[4-[4-(3-ethyl-6-pentylnaphthalen-2-yl)cyclohexyl]cyclohexyl]-3-[2-[2-(hydroxymethyl)prop-2-enoyloxy]ethyl]hexyl] 2-methylidenebutanoate;[3-[2-[2-(hydroxymethyl)prop-2-enoyloxy]ethyl]-6-[4-[4-(6-pentylnaphthalen-2-yl)cyclohex-3-en-1-yl]cyclohexyl]hexyl] 2-methylidenebutanoate;[3-(2-methylprop-2-enoyloxy)-4-[4-[4-(6-pentylnaphthalen-2-yl)cyclohexyl]cyclohexyl]butyl] 2-(hydroxymethyl)prop-2-enoate;[3-(oxiran-2-ylmethyl)-6-[4-[4-(6-pentylnaphthalen-2-yl)cyclohexyl]cyclohexyl]hexyl] 2-(hydroxymethyl)prop-2-enoate
• PubChem CID: 158502917
• Molecular Formula: C206H288O23
• Molecular Weight: 3132.55 g/mol
• Exact Mass: 3130.14
• IUPAC Name: [2-(ethenoxymethyl)-3-[6-[4-(4-pentylcyclohexyl)phenyl]naphthalen-2-yl]propyl] 2-(hydroxymethyl)prop-2-enoate;[6-[4-[4-(3-ethyl-6-pentylnaphthalen-2-yl)cyclohexyl]cyclohexyl]-3-[2-[2-(hydroxymethyl)prop-2-enoyloxy]ethyl]hexyl] 2-methylidenebutanoate;[3-[2-[2-(hydroxymethyl)prop-2-enoyloxy]ethyl]-6-[4-[4-(6-pentylnaphthalen-2-yl)cyclohex-3-en-1-yl]cyclohexyl]hexyl] 2-methylidenebutanoate;[3-(2-methylprop-2-enoyloxy)-4-[4-[4-(6-pentylnaphthalen-2-yl)cyclohexyl]cyclohexyl]butyl] 2-(hydroxymethyl)prop-2-enoate;[3-(oxiran-2-ylmethyl)-6-[4-[4-(6-pentylnaphthalen-2-yl)cyclohexyl]cyclohexyl]hexyl] 2-(hydroxymethyl)prop-2-enoate
• SMILES: C=C(C)C(=O)OC(CCOC(=O)C(=C)CO)CC1CCC(C2CCC(c3ccc4cc(CCCCC)ccc4c3)CC2)CC1.C=C(CC)C(=O)OCCC(CCCC1CCC(C2CC=C(c3ccc4cc(CCCCC)ccc4c3)CC2)CC1)CCOC(=O)C(=C)CO.C=C(CC)C(=O)OCCC(CCCC1CCC(C2CCC(c3cc4ccc(CCCCC)cc4cc3CC)CC2)CC1)CCOC(=O)C(=C)CO.C=C(CO)C(=O)OCCC(CCCC1CCC(C2CCC(c3ccc4cc(CCCCC)ccc4c3)CC2)CC1)CC1CO1.C=COCC(COC(=O)C(=C)CO)Cc1ccc2cc(-c3ccc(C4CCC(CCCCC)CC4)cc3)ccc2c1
• InChI: InChI=1S/C46H68O5.C44H62O5.C40H58O4.C39H54O5.C37H46O4/c1-6-9-10-12-37-17-20-42-31-44(38(8-3)30-43(42)29-37)41-23-21-40(22-24-41)39-18-15-35(16-19-39)13-11-14-36(25-27-50-45(48)33(4)7-2)26-28-51-46(49)34(5)32-47;1-5-7-8-10-36-15-18-42-30-41(24-23-40(42)29-36)39-21-19-38(20-22-39)37-16-13-34(14-17-37)11-9-12-35(25-27-48-43(46)32(3)6-2)26-28-49-44(47)33(4)31-45;1-3-4-5-7-31-12-15-38-26-37(21-20-36(38)24-31)35-18-16-34(17-19-35)33-13-10-30(11-14-33)8-6-9-32(25-39-28-44-39)22-23-43-40(42)29(2)27-41;1-5-6-7-8-29-11-14-36-25-35(20-19-34(36)23-29)33-17-15-32(16-18-33)31-12-9-30(10-13-31)24-37(44-38(41)27(2)3)21-22-43-39(42)28(4)26-40;1-4-6-7-8-28-9-12-31(13-10-28)32-15-17-33(18-16-32)35-20-19-34-22-29(11-14-36(34)23-35)21-30(25-40-5-2)26-41-37(39)27(3)24-38/h17,20,29-31,35-36,39-41,47H,4-16,18-19,21-28,32H2,1-3H3;15,18,21,23-24,29-30,34-35,37-38,45H,3-14,16-17,19-20,22,25-28,31H2,1-2H3;12,15,20-21,24,26,30,32-35,39,41H,2-11,13-14,16-19,22-23,25,27-28H2,1H3;11,14,19-20,23,25,30-33,37,40H,2,4-10,12-13,15-18,21-22,24,26H2,1,3H3;5,11,14-20,22-23,28,30-31,38H,2-4,6-10,12-13,21,24-26H2,1H3
• InChIKey: HKCPRPNJAFBWFL-UHFFFAOYSA-N
• XLogP: 49.61
• TPSA: 333.31 Ų
• H-Bond Donors: 5
• H-Bond Acceptors: 23
• Rotatable Bonds: 88
• Heavy Atoms: 229
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	3132.55
LogP ≤ 5	49.61
H-Bond Donors ≤ 5	5
H-Bond Acceptors ≤ 10	23

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': '>_2_ester_groups', 'substructure': 'N/A'}, {'alert_name': 'acyclic_C=C-O', 'substructure': 'N/A'}, {'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}, {'alert_name': 'Three-membered_heterocycle', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of [2-(ethenoxymethyl)-3-[6-[4-(4-pentylcyclohexyl)phenyl]naphthalen-2-yl]propyl] 2-(hydroxymethyl)prop-2-enoate;[6-[4-[4-(3-ethyl-6-pentylnaphthalen-2-yl)cyclohexyl]cyclohexyl]-3-[2-[2-(hydroxymethyl)prop-2-enoyloxy]ethyl]hexyl] 2-methylidenebutanoate;[3-[2-[2-(hydroxymethyl)prop-2-enoyloxy]ethyl]-6-[4-[4-(6-pentylnaphthalen-2-yl)cyclohex-3-en-1-yl]cyclohexyl]hexyl] 2-methylidenebutanoate;[3-(2-methylprop-2-enoyloxy)-4-[4-[4-(6-pentylnaphthalen-2-yl)cyclohexyl]cyclohexyl]butyl] 2-(hydroxymethyl)prop-2-enoate;[3-(oxiran-2-ylmethyl)-6-[4-[4-(6-pentylnaphthalen-2-yl)cyclohexyl]cyclohexyl]hexyl] 2-(hydroxymethyl)prop-2-enoate?

The IUPAC name of [2-(ethenoxymethyl)-3-[6-[4-(4-pentylcyclohexyl)phenyl]naphthalen-2-yl]propyl] 2-(hydroxymethyl)prop-2-enoate;[6-[4-[4-(3-ethyl-6-pentylnaphthalen-2-yl)cyclohexyl]cyclohexyl]-3-[2-[2-(hydroxymethyl)prop-2-enoyloxy]ethyl]hexyl] 2-methylidenebutanoate;[3-[2-[2-(hydroxymethyl)prop-2-enoyloxy]ethyl]-6-[4-[4-(6-pentylnaphthalen-2-yl)cyclohex-3-en-1-yl]cyclohexyl]hexyl] 2-methylidenebutanoate;[3-(2-methylprop-2-enoyloxy)-4-[4-[4-(6-pentylnaphthalen-2-yl)cyclohexyl]cyclohexyl]butyl] 2-(hydroxymethyl)prop-2-enoate;[3-(oxiran-2-ylmethyl)-6-[4-[4-(6-pentylnaphthalen-2-yl)cyclohexyl]cyclohexyl]hexyl] 2-(hydroxymethyl)prop-2-enoate (CID 158502917) is [2-(ethenoxymethyl)-3-[6-[4-(4-pentylcyclohexyl)phenyl]naphthalen-2-yl]propyl] 2-(hydroxymethyl)prop-2-enoate;[6-[4-[4-(3-ethyl-6-pentylnaphthalen-2-yl)cyclohexyl]cyclohexyl]-3-[2-[2-(hydroxymethyl)prop-2-enoyloxy]ethyl]hexyl] 2-methylidenebutanoate;[3-[2-[2-(hydroxymethyl)prop-2-enoyloxy]ethyl]-6-[4-[4-(6-pentylnaphthalen-2-yl)cyclohex-3-en-1-yl]cyclohexyl]hexyl] 2-methylidenebutanoate;[3-(2-methylprop-2-enoyloxy)-4-[4-[4-(6-pentylnaphthalen-2-yl)cyclohexyl]cyclohexyl]butyl] 2-(hydroxymethyl)prop-2-enoate;[3-(oxiran-2-ylmethyl)-6-[4-[4-(6-pentylnaphthalen-2-yl)cyclohexyl]cyclohexyl]hexyl] 2-(hydroxymethyl)prop-2-enoate.

What is the SMILES notation for [2-(ethenoxymethyl)-3-[6-[4-(4-pentylcyclohexyl)phenyl]naphthalen-2-yl]propyl] 2-(hydroxymethyl)prop-2-enoate;[6-[4-[4-(3-ethyl-6-pentylnaphthalen-2-yl)cyclohexyl]cyclohexyl]-3-[2-[2-(hydroxymethyl)prop-2-enoyloxy]ethyl]hexyl] 2-methylidenebutanoate;[3-[2-[2-(hydroxymethyl)prop-2-enoyloxy]ethyl]-6-[4-[4-(6-pentylnaphthalen-2-yl)cyclohex-3-en-1-yl]cyclohexyl]hexyl] 2-methylidenebutanoate;[3-(2-methylprop-2-enoyloxy)-4-[4-[4-(6-pentylnaphthalen-2-yl)cyclohexyl]cyclohexyl]butyl] 2-(hydroxymethyl)prop-2-enoate;[3-(oxiran-2-ylmethyl)-6-[4-[4-(6-pentylnaphthalen-2-yl)cyclohexyl]cyclohexyl]hexyl] 2-(hydroxymethyl)prop-2-enoate?

The canonical SMILES for [2-(ethenoxymethyl)-3-[6-[4-(4-pentylcyclohexyl)phenyl]naphthalen-2-yl]propyl] 2-(hydroxymethyl)prop-2-enoate;[6-[4-[4-(3-ethyl-6-pentylnaphthalen-2-yl)cyclohexyl]cyclohexyl]-3-[2-[2-(hydroxymethyl)prop-2-enoyloxy]ethyl]hexyl] 2-methylidenebutanoate;[3-[2-[2-(hydroxymethyl)prop-2-enoyloxy]ethyl]-6-[4-[4-(6-pentylnaphthalen-2-yl)cyclohex-3-en-1-yl]cyclohexyl]hexyl] 2-methylidenebutanoate;[3-(2-methylprop-2-enoyloxy)-4-[4-[4-(6-pentylnaphthalen-2-yl)cyclohexyl]cyclohexyl]butyl] 2-(hydroxymethyl)prop-2-enoate;[3-(oxiran-2-ylmethyl)-6-[4-[4-(6-pentylnaphthalen-2-yl)cyclohexyl]cyclohexyl]hexyl] 2-(hydroxymethyl)prop-2-enoate is C=C(C)C(=O)OC(CCOC(=O)C(=C)CO)CC1CCC(C2CCC(c3ccc4cc(CCCCC)ccc4c3)CC2)CC1.C=C(CC)C(=O)OCCC(CCCC1CCC(C2CC=C(c3ccc4cc(CCCCC)ccc4c3)CC2)CC1)CCOC(=O)C(=C)CO.C=C(CC)C(=O)OCCC(CCCC1CCC(C2CCC(c3cc4ccc(CCCCC)cc4cc3CC)CC2)CC1)CCOC(=O)C(=C)CO.C=C(CO)C(=O)OCCC(CCCC1CCC(C2CCC(c3ccc4cc(CCCCC)ccc4c3)CC2)CC1)CC1CO1.C=COCC(COC(=O)C(=C)CO)Cc1ccc2cc(-c3ccc(C4CCC(CCCCC)CC4)cc3)ccc2c1.

What is the InChIKey of [2-(ethenoxymethyl)-3-[6-[4-(4-pentylcyclohexyl)phenyl]naphthalen-2-yl]propyl] 2-(hydroxymethyl)prop-2-enoate;[6-[4-[4-(3-ethyl-6-pentylnaphthalen-2-yl)cyclohexyl]cyclohexyl]-3-[2-[2-(hydroxymethyl)prop-2-enoyloxy]ethyl]hexyl] 2-methylidenebutanoate;[3-[2-[2-(hydroxymethyl)prop-2-enoyloxy]ethyl]-6-[4-[4-(6-pentylnaphthalen-2-yl)cyclohex-3-en-1-yl]cyclohexyl]hexyl] 2-methylidenebutanoate;[3-(2-methylprop-2-enoyloxy)-4-[4-[4-(6-pentylnaphthalen-2-yl)cyclohexyl]cyclohexyl]butyl] 2-(hydroxymethyl)prop-2-enoate;[3-(oxiran-2-ylmethyl)-6-[4-[4-(6-pentylnaphthalen-2-yl)cyclohexyl]cyclohexyl]hexyl] 2-(hydroxymethyl)prop-2-enoate?

The InChIKey is HKCPRPNJAFBWFL-UHFFFAOYSA-N. The full InChI is InChI=1S/C46H68O5.C44H62O5.C40H58O4.C39H54O5.C37H46O4/c1-6-9-10-12-37-17-20-42-31-44(38(8-3)30-43(42)29-37)41-23-21-40(22-24-41)39-18-15-35(16-19-39)13-11-14-36(25-27-50-45(48)33(4)7-2)26-28-51-46(49)34(5)32-47;1-5-7-8-10-36-15-18-42-30-41(24-23-40(42)29-36)39-21-19-38(20-22-39)37-16-13-34(14-17-37)11-9-12-35(25-27-48-43(46)32(3)6-2)26-28-49-44(47)33(4)31-45;1-3-4-5-7-31-12-15-38-26-37(21-20-36(38)24-31)35-18-16-34(17-19-35)33-13-10-30(11-14-33)8-6-9-32(25-39-28-44-39)22-23-43-40(42)29(2)27-41;1-5-6-7-8-29-11-14-36-25-35(20-19-34(36)23-29)33-17-15-32(16-18-33)31-12-9-30(10-13-31)24-37(44-38(41)27(2)3)21-22-43-39(42)28(4)26-40;1-4-6-7-8-28-9-12-31(13-10-28)32-15-17-33(18-16-32)35-20-19-34-22-29(11-14-36(34)23-35)21-30(25-40-5-2)26-41-37(39)27(3)24-38/h17,20,29-31,35-36,39-41,47H,4-16,18-19,21-28,32H2,1-3H3;15,18,21,23-24,29-30,34-35,37-38,45H,3-14,16-17,19-20,22,25-28,31H2,1-2H3;12,15,20-21,24,26,30,32-35,39,41H,2-11,13-14,16-19,22-23,25,27-28H2,1H3;11,14,19-20,23,25,30-33,37,40H,2,4-10,12-13,15-18,21-22,24,26H2,1,3H3;5,11,14-20,22-23,28,30-31,38H,2-4,6-10,12-13,21,24-26H2,1H3.

What are the key properties of [2-(ethenoxymethyl)-3-[6-[4-(4-pentylcyclohexyl)phenyl]naphthalen-2-yl]propyl] 2-(hydroxymethyl)prop-2-enoate;[6-[4-[4-(3-ethyl-6-pentylnaphthalen-2-yl)cyclohexyl]cyclohexyl]-3-[2-[2-(hydroxymethyl)prop-2-enoyloxy]ethyl]hexyl] 2-methylidenebutanoate;[3-[2-[2-(hydroxymethyl)prop-2-enoyloxy]ethyl]-6-[4-[4-(6-pentylnaphthalen-2-yl)cyclohex-3-en-1-yl]cyclohexyl]hexyl] 2-methylidenebutanoate;[3-(2-methylprop-2-enoyloxy)-4-[4-[4-(6-pentylnaphthalen-2-yl)cyclohexyl]cyclohexyl]butyl] 2-(hydroxymethyl)prop-2-enoate;[3-(oxiran-2-ylmethyl)-6-[4-[4-(6-pentylnaphthalen-2-yl)cyclohexyl]cyclohexyl]hexyl] 2-(hydroxymethyl)prop-2-enoate?

[2-(ethenoxymethyl)-3-[6-[4-(4-pentylcyclohexyl)phenyl]naphthalen-2-yl]propyl] 2-(hydroxymethyl)prop-2-enoate;[6-[4-[4-(3-ethyl-6-pentylnaphthalen-2-yl)cyclohexyl]cyclohexyl]-3-[2-[2-(hydroxymethyl)prop-2-enoyloxy]ethyl]hexyl] 2-methylidenebutanoate;[3-[2-[2-(hydroxymethyl)prop-2-enoyloxy]ethyl]-6-[4-[4-(6-pentylnaphthalen-2-yl)cyclohex-3-en-1-yl]cyclohexyl]hexyl] 2-methylidenebutanoate;[3-(2-methylprop-2-enoyloxy)-4-[4-[4-(6-pentylnaphthalen-2-yl)cyclohexyl]cyclohexyl]butyl] 2-(hydroxymethyl)prop-2-enoate;[3-(oxiran-2-ylmethyl)-6-[4-[4-(6-pentylnaphthalen-2-yl)cyclohexyl]cyclohexyl]hexyl] 2-(hydroxymethyl)prop-2-enoate has a molecular weight of 3132.55 g/mol, XLogP of 49.61, 88 rotatable bonds, 5 hydrogen bond donors, and 23 hydrogen bond acceptors.

Where does this data come from?

All data for [2-(ethenoxymethyl)-3-[6-[4-(4-pentylcyclohexyl)phenyl]naphthalen-2-yl]propyl] 2-(hydroxymethyl)prop-2-enoate;[6-[4-[4-(3-ethyl-6-pentylnaphthalen-2-yl)cyclohexyl]cyclohexyl]-3-[2-[2-(hydroxymethyl)prop-2-enoyloxy]ethyl]hexyl] 2-methylidenebutanoate;[3-[2-[2-(hydroxymethyl)prop-2-enoyloxy]ethyl]-6-[4-[4-(6-pentylnaphthalen-2-yl)cyclohex-3-en-1-yl]cyclohexyl]hexyl] 2-methylidenebutanoate;[3-(2-methylprop-2-enoyloxy)-4-[4-[4-(6-pentylnaphthalen-2-yl)cyclohexyl]cyclohexyl]butyl] 2-(hydroxymethyl)prop-2-enoate;[3-(oxiran-2-ylmethyl)-6-[4-[4-(6-pentylnaphthalen-2-yl)cyclohexyl]cyclohexyl]hexyl] 2-(hydroxymethyl)prop-2-enoate is sourced from PubChem (CID 158502917), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).