[10-methoxy-14-(4-methylpent-3-enyl)-3-tetracyclo[10.2.1.02,11.04,9]pentadeca-2,4,6,8,10,13-hexaenyl] 2-methylprop-2-enoate

C26H28O3 — CID 163406469

About [10-methoxy-14-(4-methylpent-3-enyl)-3-tetracyclo[10.2.1.02,11.04,9]pentadeca-2,4,6,8,10,13-hexaenyl] 2-methylprop-2-enoate

[10-methoxy-14-(4-methylpent-3-enyl)-3-tetracyclo[10.2.1.02,11.04,9]pentadeca-2,4,6,8,10,13-hexaenyl] 2-methylprop-2-enoate (PubChem CID 163406469) has the molecular formula C26H28O3 and a molecular weight of 388.51 g/mol. Its IUPAC name is [10-methoxy-14-(4-methylpent-3-enyl)-3-tetracyclo[10.2.1.02,11.04,9]pentadeca-2,4,6,8,10,13-hexaenyl] 2-methylprop-2-enoate.

Molecular Properties

• Compound Name: [10-methoxy-14-(4-methylpent-3-enyl)-3-tetracyclo[10.2.1.02,11.04,9]pentadeca-2,4,6,8,10,13-hexaenyl] 2-methylprop-2-enoate
• PubChem CID: 163406469
• Molecular Formula: C26H28O3
• Molecular Weight: 388.51 g/mol
• Exact Mass: 388.20
• IUPAC Name: [10-methoxy-14-(4-methylpent-3-enyl)-3-tetracyclo[10.2.1.02,11.04,9]pentadeca-2,4,6,8,10,13-hexaenyl] 2-methylprop-2-enoate
• SMILES: C=C(C)C(=O)Oc1c2c(c(OC)c3ccccc13)C1C=C(CCC=C(C)C)C2C1
• InChI: InChI=1S/C26H28O3/c1-15(2)9-8-10-17-13-18-14-21(17)23-22(18)24(28-5)19-11-6-7-12-20(19)25(23)29-26(27)16(3)4/h6-7,9,11-13,18,21H,3,8,10,14H2,1-2,4-5H3
• InChIKey: BORQDLCBWWNXSC-UHFFFAOYSA-N
• XLogP: 6.59
• TPSA: 35.53 Ų
• H-Bond Acceptors: 3
• Rotatable Bonds: 6
• Heavy Atoms: 29
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	388.51
LogP ≤ 5	6.59
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	3

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': 'isolated_alkene', 'substructure': 'N/A'}, {'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}, {'alert_name': 'phenol_ester', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of [10-methoxy-14-(4-methylpent-3-enyl)-3-tetracyclo[10.2.1.02,11.04,9]pentadeca-2,4,6,8,10,13-hexaenyl] 2-methylprop-2-enoate?

The IUPAC name of [10-methoxy-14-(4-methylpent-3-enyl)-3-tetracyclo[10.2.1.02,11.04,9]pentadeca-2,4,6,8,10,13-hexaenyl] 2-methylprop-2-enoate (CID 163406469) is [10-methoxy-14-(4-methylpent-3-enyl)-3-tetracyclo[10.2.1.02,11.04,9]pentadeca-2,4,6,8,10,13-hexaenyl] 2-methylprop-2-enoate.

What is the SMILES notation for [10-methoxy-14-(4-methylpent-3-enyl)-3-tetracyclo[10.2.1.02,11.04,9]pentadeca-2,4,6,8,10,13-hexaenyl] 2-methylprop-2-enoate?

The canonical SMILES for [10-methoxy-14-(4-methylpent-3-enyl)-3-tetracyclo[10.2.1.02,11.04,9]pentadeca-2,4,6,8,10,13-hexaenyl] 2-methylprop-2-enoate is C=C(C)C(=O)Oc1c2c(c(OC)c3ccccc13)C1C=C(CCC=C(C)C)C2C1.

What is the InChIKey of [10-methoxy-14-(4-methylpent-3-enyl)-3-tetracyclo[10.2.1.02,11.04,9]pentadeca-2,4,6,8,10,13-hexaenyl] 2-methylprop-2-enoate?

The InChIKey is BORQDLCBWWNXSC-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H28O3/c1-15(2)9-8-10-17-13-18-14-21(17)23-22(18)24(28-5)19-11-6-7-12-20(19)25(23)29-26(27)16(3)4/h6-7,9,11-13,18,21H,3,8,10,14H2,1-2,4-5H3.

What are the key properties of [10-methoxy-14-(4-methylpent-3-enyl)-3-tetracyclo[10.2.1.02,11.04,9]pentadeca-2,4,6,8,10,13-hexaenyl] 2-methylprop-2-enoate?

[10-methoxy-14-(4-methylpent-3-enyl)-3-tetracyclo[10.2.1.02,11.04,9]pentadeca-2,4,6,8,10,13-hexaenyl] 2-methylprop-2-enoate has a molecular weight of 388.51 g/mol, XLogP of 6.59, 6 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.

Where does this data come from?

All data for [10-methoxy-14-(4-methylpent-3-enyl)-3-tetracyclo[10.2.1.02,11.04,9]pentadeca-2,4,6,8,10,13-hexaenyl] 2-methylprop-2-enoate is sourced from PubChem (CID 163406469), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).