hafnium;helium;methane;2-[2-[(2-methyl-2-adamantyl)oxy]-2-oxoethoxy]ethyl 2-methylprop-2-enoate

C23H44HeHf2O5 — CID 162080101

About hafnium;helium;methane;2-[2-[(2-methyl-2-adamantyl)oxy]-2-oxoethoxy]ethyl 2-methylprop-2-enoate

hafnium;helium;methane;2-[2-[(2-methyl-2-adamantyl)oxy]-2-oxoethoxy]ethyl 2-methylprop-2-enoate (PubChem CID 162080101) has the molecular formula C23H44HeHf2O5 and a molecular weight of 761.58 g/mol. Its IUPAC name is hafnium;helium;methane;2-[2-[(2-methyl-2-adamantyl)oxy]-2-oxoethoxy]ethyl 2-methylprop-2-enoate.

Molecular Properties

• Compound Name: hafnium;helium;methane;2-[2-[(2-methyl-2-adamantyl)oxy]-2-oxoethoxy]ethyl 2-methylprop-2-enoate
• PubChem CID: 162080101
• Molecular Formula: C23H44HeHf2O5
• Molecular Weight: 761.58 g/mol
• Exact Mass: 764.21
• IUPAC Name: hafnium;helium;methane;2-[2-[(2-methyl-2-adamantyl)oxy]-2-oxoethoxy]ethyl 2-methylprop-2-enoate
• SMILES: C.C.C.C.C=C(C)C(=O)OCCOCC(=O)OC1(C)C2CC3CC(C2)CC1C3.[He].[Hf].[Hf]
• InChI: InChI=1S/C19H28O5.4CH4.He.2Hf/c1-12(2)18(21)23-5-4-22-11-17(20)24-19(3)15-7-13-6-14(9-15)10-16(19)8-13;;;;;;;/h13-16H,1,4-11H2,2-3H3;4*1H4
• InChIKey: ZCFNJJPZAXUVIT-UHFFFAOYSA-N
• XLogP: 5.42
• TPSA: 61.83 Ų
• H-Bond Acceptors: 5
• Rotatable Bonds: 7
• Heavy Atoms: 31
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	761.58
LogP ≤ 5	5.42
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	5

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of hafnium;helium;methane;2-[2-[(2-methyl-2-adamantyl)oxy]-2-oxoethoxy]ethyl 2-methylprop-2-enoate?

The IUPAC name of hafnium;helium;methane;2-[2-[(2-methyl-2-adamantyl)oxy]-2-oxoethoxy]ethyl 2-methylprop-2-enoate (CID 162080101) is hafnium;helium;methane;2-[2-[(2-methyl-2-adamantyl)oxy]-2-oxoethoxy]ethyl 2-methylprop-2-enoate.

What is the SMILES notation for hafnium;helium;methane;2-[2-[(2-methyl-2-adamantyl)oxy]-2-oxoethoxy]ethyl 2-methylprop-2-enoate?

The canonical SMILES for hafnium;helium;methane;2-[2-[(2-methyl-2-adamantyl)oxy]-2-oxoethoxy]ethyl 2-methylprop-2-enoate is C.C.C.C.C=C(C)C(=O)OCCOCC(=O)OC1(C)C2CC3CC(C2)CC1C3.[He].[Hf].[Hf].

What is the InChIKey of hafnium;helium;methane;2-[2-[(2-methyl-2-adamantyl)oxy]-2-oxoethoxy]ethyl 2-methylprop-2-enoate?

The InChIKey is ZCFNJJPZAXUVIT-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H28O5.4CH4.He.2Hf/c1-12(2)18(21)23-5-4-22-11-17(20)24-19(3)15-7-13-6-14(9-15)10-16(19)8-13;;;;;;;/h13-16H,1,4-11H2,2-3H3;4*1H4;;;.

What are the key properties of hafnium;helium;methane;2-[2-[(2-methyl-2-adamantyl)oxy]-2-oxoethoxy]ethyl 2-methylprop-2-enoate?

hafnium;helium;methane;2-[2-[(2-methyl-2-adamantyl)oxy]-2-oxoethoxy]ethyl 2-methylprop-2-enoate has a molecular weight of 761.58 g/mol, XLogP of 5.42, 7 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.

Where does this data come from?

All data for hafnium;helium;methane;2-[2-[(2-methyl-2-adamantyl)oxy]-2-oxoethoxy]ethyl 2-methylprop-2-enoate is sourced from PubChem (CID 162080101), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).