(10-acetyloxy-14-ethyl-7-methyl-3-tetracyclo[10.2.1.02,11.04,9]pentadeca-2,4(9),5,7,10,13-hexaenyl) 2-methylprop-2-enoate

C24H24O4 — CID 163407123

About (10-acetyloxy-14-ethyl-7-methyl-3-tetracyclo[10.2.1.02,11.04,9]pentadeca-2,4(9),5,7,10,13-hexaenyl) 2-methylprop-2-enoate

(10-acetyloxy-14-ethyl-7-methyl-3-tetracyclo[10.2.1.02,11.04,9]pentadeca-2,4(9),5,7,10,13-hexaenyl) 2-methylprop-2-enoate (PubChem CID 163407123) has the molecular formula C24H24O4 and a molecular weight of 376.45 g/mol. Its IUPAC name is (10-acetyloxy-14-ethyl-7-methyl-3-tetracyclo[10.2.1.02,11.04,9]pentadeca-2,4(9),5,7,10,13-hexaenyl) 2-methylprop-2-enoate.

Molecular Properties

• Compound Name: (10-acetyloxy-14-ethyl-7-methyl-3-tetracyclo[10.2.1.02,11.04,9]pentadeca-2,4(9),5,7,10,13-hexaenyl) 2-methylprop-2-enoate
• PubChem CID: 163407123
• Molecular Formula: C24H24O4
• Molecular Weight: 376.45 g/mol
• Exact Mass: 376.17
• IUPAC Name: (10-acetyloxy-14-ethyl-7-methyl-3-tetracyclo[10.2.1.02,11.04,9]pentadeca-2,4(9),5,7,10,13-hexaenyl) 2-methylprop-2-enoate
• SMILES: C=C(C)C(=O)Oc1c2c(c(OC(C)=O)c3cc(C)ccc13)C1C=C(CC)C2C1
• InChI: InChI=1S/C24H24O4/c1-6-15-10-16-11-18(15)21-20(16)23(27-14(5)25)19-9-13(4)7-8-17(19)22(21)28-24(26)12(2)3/h7-10,16,18H,2,6,11H2,1,3-5H3
• InChIKey: GFQWMGLRPRNHQQ-UHFFFAOYSA-N
• XLogP: 5.48
• TPSA: 52.60 Ų
• H-Bond Acceptors: 4
• Rotatable Bonds: 4
• Heavy Atoms: 28
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	376.45
LogP ≤ 5	5.48
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	4

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-acetyloxy-14-ethyl-7-methyl-3-tetracyclo[10.2.1.02,11.04,9]pentadeca-2,4(9),5,7,10,13-hexaenyl) 2-methylprop-2-enoate?

The IUPAC name of (10-acetyloxy-14-ethyl-7-methyl-3-tetracyclo[10.2.1.02,11.04,9]pentadeca-2,4(9),5,7,10,13-hexaenyl) 2-methylprop-2-enoate (CID 163407123) is (10-acetyloxy-14-ethyl-7-methyl-3-tetracyclo[10.2.1.02,11.04,9]pentadeca-2,4(9),5,7,10,13-hexaenyl) 2-methylprop-2-enoate.

What is the SMILES notation for (10-acetyloxy-14-ethyl-7-methyl-3-tetracyclo[10.2.1.02,11.04,9]pentadeca-2,4(9),5,7,10,13-hexaenyl) 2-methylprop-2-enoate?

The canonical SMILES for (10-acetyloxy-14-ethyl-7-methyl-3-tetracyclo[10.2.1.02,11.04,9]pentadeca-2,4(9),5,7,10,13-hexaenyl) 2-methylprop-2-enoate is C=C(C)C(=O)Oc1c2c(c(OC(C)=O)c3cc(C)ccc13)C1C=C(CC)C2C1.

What is the InChIKey of (10-acetyloxy-14-ethyl-7-methyl-3-tetracyclo[10.2.1.02,11.04,9]pentadeca-2,4(9),5,7,10,13-hexaenyl) 2-methylprop-2-enoate?

The InChIKey is GFQWMGLRPRNHQQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H24O4/c1-6-15-10-16-11-18(15)21-20(16)23(27-14(5)25)19-9-13(4)7-8-17(19)22(21)28-24(26)12(2)3/h7-10,16,18H,2,6,11H2,1,3-5H3.

What are the key properties of (10-acetyloxy-14-ethyl-7-methyl-3-tetracyclo[10.2.1.02,11.04,9]pentadeca-2,4(9),5,7,10,13-hexaenyl) 2-methylprop-2-enoate?

(10-acetyloxy-14-ethyl-7-methyl-3-tetracyclo[10.2.1.02,11.04,9]pentadeca-2,4(9),5,7,10,13-hexaenyl) 2-methylprop-2-enoate has a molecular weight of 376.45 g/mol, XLogP of 5.48, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.

Where does this data come from?

All data for (10-acetyloxy-14-ethyl-7-methyl-3-tetracyclo[10.2.1.02,11.04,9]pentadeca-2,4(9),5,7,10,13-hexaenyl) 2-methylprop-2-enoate is sourced from PubChem (CID 163407123), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).