actinium;2,5,7,8-tetramethyl-2-[(E)-4,6,8,12-tetramethyltridec-3-enyl]chromen-6-ol

C30H48AcO2 — CID 20767068

About actinium;2,5,7,8-tetramethyl-2-[(E)-4,6,8,12-tetramethyltridec-3-enyl]chromen-6-ol

actinium;2,5,7,8-tetramethyl-2-[(E)-4,6,8,12-tetramethyltridec-3-enyl]chromen-6-ol (PubChem CID 20767068) has the molecular formula C30H48AcO2 and a molecular weight of 667.71 g/mol. Its IUPAC name is actinium;2,5,7,8-tetramethyl-2-[(E)-4,6,8,12-tetramethyltridec-3-enyl]chromen-6-ol.

Molecular Properties

• Compound Name: actinium;2,5,7,8-tetramethyl-2-[(E)-4,6,8,12-tetramethyltridec-3-enyl]chromen-6-ol
• PubChem CID: 20767068
• Molecular Formula: C30H48AcO2
• Molecular Weight: 667.71 g/mol
• Exact Mass: 667.39
• IUPAC Name: actinium;2,5,7,8-tetramethyl-2-[(E)-4,6,8,12-tetramethyltridec-3-enyl]chromen-6-ol
• SMILES: C/C(=C\CCC1(C)C=Cc2c(C)c(O)c(C)c(C)c2O1)CC(C)CC(C)CCCC(C)C.[Ac]
• InChI: InChI=1S/C30H48O2.Ac/c1-20(2)12-10-13-21(3)18-23(5)19-22(4)14-11-16-30(9)17-15-27-26(8)28(31)24(6)25(7)29(27)32-30;/h14-15,17,20-21,23,31H,10-13,16,18-19H2,1-9H3;/b22-14+
• InChIKey: YZLSYJXQXUURSL-CWUUNJJBSA-N
• XLogP: 9.09
• TPSA: 29.46 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 2
• Rotatable Bonds: 11
• Heavy Atoms: 33
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	667.71
LogP ≤ 5	9.09
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	2

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of actinium;2,5,7,8-tetramethyl-2-[(E)-4,6,8,12-tetramethyltridec-3-enyl]chromen-6-ol?

The IUPAC name of actinium;2,5,7,8-tetramethyl-2-[(E)-4,6,8,12-tetramethyltridec-3-enyl]chromen-6-ol (CID 20767068) is actinium;2,5,7,8-tetramethyl-2-[(E)-4,6,8,12-tetramethyltridec-3-enyl]chromen-6-ol.

What is the SMILES notation for actinium;2,5,7,8-tetramethyl-2-[(E)-4,6,8,12-tetramethyltridec-3-enyl]chromen-6-ol?

The canonical SMILES for actinium;2,5,7,8-tetramethyl-2-[(E)-4,6,8,12-tetramethyltridec-3-enyl]chromen-6-ol is C/C(=C\CCC1(C)C=Cc2c(C)c(O)c(C)c(C)c2O1)CC(C)CC(C)CCCC(C)C.[Ac].

What is the InChIKey of actinium;2,5,7,8-tetramethyl-2-[(E)-4,6,8,12-tetramethyltridec-3-enyl]chromen-6-ol?

The InChIKey is YZLSYJXQXUURSL-CWUUNJJBSA-N. The full InChI is InChI=1S/C30H48O2.Ac/c1-20(2)12-10-13-21(3)18-23(5)19-22(4)14-11-16-30(9)17-15-27-26(8)28(31)24(6)25(7)29(27)32-30;/h14-15,17,20-21,23,31H,10-13,16,18-19H2,1-9H3;/b22-14+;.

What are the key properties of actinium;2,5,7,8-tetramethyl-2-[(E)-4,6,8,12-tetramethyltridec-3-enyl]chromen-6-ol?

actinium;2,5,7,8-tetramethyl-2-[(E)-4,6,8,12-tetramethyltridec-3-enyl]chromen-6-ol has a molecular weight of 667.71 g/mol, XLogP of 9.09, 11 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.

Where does this data come from?

All data for actinium;2,5,7,8-tetramethyl-2-[(E)-4,6,8,12-tetramethyltridec-3-enyl]chromen-6-ol is sourced from PubChem (CID 20767068), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).