ethane;hafnium(4+);1,2,3,5,5-pentamethylcyclopenta-1,3-diene

C16H30Hf — CID 173301048

IUPACethane;hafnium(4+);1,2,3,5,5-pentamethylcyclopenta-1,3-diene
SMILESCC1=[C-]C(C)(C)C(C)=C1C.[CH2-]C.[CH2-]C.[CH2-]C.[Hf+4]
InChIInChI=1S/C10H15.3C2H5.Hf/c1-7-6-10(4,5)9(3)8(7)2;3*1-2;/h1-5H3;3*1H2,2H3;/q4*-1;+4
InChIKeyLKJVHNOWTJPLST-UHFFFAOYSA-N
MW400.91 g/mol
LogP5.63
Rot. Bonds

About ethane;hafnium(4+);1,2,3,5,5-pentamethylcyclopenta-1,3-diene

ethane;hafnium(4+);1,2,3,5,5-pentamethylcyclopenta-1,3-diene (PubChem CID 173301048) has the molecular formula C16H30Hf and a molecular weight of 400.91 g/mol. Its IUPAC name is ethane;hafnium(4+);1,2,3,5,5-pentamethylcyclopenta-1,3-diene.

Molecular Properties

Compound Nameethane;hafnium(4+);1,2,3,5,5-pentamethylcyclopenta-1,3-diene
PubChem CID173301048
Molecular FormulaC16H30Hf
Molecular Weight400.91 g/mol
Exact Mass402.18
IUPAC Nameethane;hafnium(4+);1,2,3,5,5-pentamethylcyclopenta-1,3-diene
SMILESCC1=[C-]C(C)(C)C(C)=C1C.[CH2-]C.[CH2-]C.[CH2-]C.[Hf+4]
InChIInChI=1S/C10H15.3C2H5.Hf/c1-7-6-10(4,5)9(3)8(7)2;3*1-2;/h1-5H3;3*1H2,2H3;/q4*-1;+4
InChIKeyLKJVHNOWTJPLST-UHFFFAOYSA-N
XLogP5.63
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds
Heavy Atoms17
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500400.91
LogP ≤ 55.63
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Carbo_cation/anion', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of ethane;hafnium(4+);1,2,3,5,5-pentamethylcyclopenta-1,3-diene?
The IUPAC name of ethane;hafnium(4+);1,2,3,5,5-pentamethylcyclopenta-1,3-diene (CID 173301048) is ethane;hafnium(4+);1,2,3,5,5-pentamethylcyclopenta-1,3-diene.
What is the SMILES notation for ethane;hafnium(4+);1,2,3,5,5-pentamethylcyclopenta-1,3-diene?
The canonical SMILES for ethane;hafnium(4+);1,2,3,5,5-pentamethylcyclopenta-1,3-diene is CC1=[C-]C(C)(C)C(C)=C1C.[CH2-]C.[CH2-]C.[CH2-]C.[Hf+4].
What is the InChIKey of ethane;hafnium(4+);1,2,3,5,5-pentamethylcyclopenta-1,3-diene?
The InChIKey is LKJVHNOWTJPLST-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H15.3C2H5.Hf/c1-7-6-10(4,5)9(3)8(7)2;3*1-2;/h1-5H3;3*1H2,2H3;/q4*-1;+4.
What are the key properties of ethane;hafnium(4+);1,2,3,5,5-pentamethylcyclopenta-1,3-diene?
ethane;hafnium(4+);1,2,3,5,5-pentamethylcyclopenta-1,3-diene has a molecular weight of 400.91 g/mol, XLogP of 5.63, 0 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for ethane;hafnium(4+);1,2,3,5,5-pentamethylcyclopenta-1,3-diene is sourced from PubChem (CID 173301048), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).