hafnium;methanol;1,2,3,5,5-pentamethylcyclopenta-1,3-diene;dichloride

C13H27Cl2HfO3-3 — CID 19422936

IUPAChafnium;methanol;1,2,3,5,5-pentamethylcyclopenta-1,3-diene;dichloride
SMILESCC1=[C-]C(C)(C)C(C)=C1C.CO.CO.CO.[Cl-].[Cl-].[Hf]
InChIInChI=1S/C10H15.3CH4O.2ClH.Hf/c1-7-6-10(4,5)9(3)8(7)2;3*1-2;;;/h1-5H3;3*2H,1H3;2*1H;/q-1;;;;;;/p-2
InChIKeyLWMPCDPPRIMJLP-UHFFFAOYSA-L
MW480.75 g/mol
LogP-4.06
Rot. Bonds

About hafnium;methanol;1,2,3,5,5-pentamethylcyclopenta-1,3-diene;dichloride

hafnium;methanol;1,2,3,5,5-pentamethylcyclopenta-1,3-diene;dichloride (PubChem CID 19422936) has the molecular formula C13H27Cl2HfO3-3 and a molecular weight of 480.75 g/mol. Its IUPAC name is hafnium;methanol;1,2,3,5,5-pentamethylcyclopenta-1,3-diene;dichloride.

Molecular Properties

Compound Namehafnium;methanol;1,2,3,5,5-pentamethylcyclopenta-1,3-diene;dichloride
PubChem CID19422936
Molecular FormulaC13H27Cl2HfO3-3
Molecular Weight480.75 g/mol
Exact Mass481.08
IUPAC Namehafnium;methanol;1,2,3,5,5-pentamethylcyclopenta-1,3-diene;dichloride
SMILESCC1=[C-]C(C)(C)C(C)=C1C.CO.CO.CO.[Cl-].[Cl-].[Hf]
InChIInChI=1S/C10H15.3CH4O.2ClH.Hf/c1-7-6-10(4,5)9(3)8(7)2;3*1-2;;;/h1-5H3;3*2H,1H3;2*1H;/q-1;;;;;;/p-2
InChIKeyLWMPCDPPRIMJLP-UHFFFAOYSA-L
XLogP-4.06
TPSA60.69 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500480.75
LogP ≤ 5-4.06
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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 hafnium;methanol;1,2,3,5,5-pentamethylcyclopenta-1,3-diene;dichloride?
The IUPAC name of hafnium;methanol;1,2,3,5,5-pentamethylcyclopenta-1,3-diene;dichloride (CID 19422936) is hafnium;methanol;1,2,3,5,5-pentamethylcyclopenta-1,3-diene;dichloride.
What is the SMILES notation for hafnium;methanol;1,2,3,5,5-pentamethylcyclopenta-1,3-diene;dichloride?
The canonical SMILES for hafnium;methanol;1,2,3,5,5-pentamethylcyclopenta-1,3-diene;dichloride is CC1=[C-]C(C)(C)C(C)=C1C.CO.CO.CO.[Cl-].[Cl-].[Hf].
What is the InChIKey of hafnium;methanol;1,2,3,5,5-pentamethylcyclopenta-1,3-diene;dichloride?
The InChIKey is LWMPCDPPRIMJLP-UHFFFAOYSA-L. The full InChI is InChI=1S/C10H15.3CH4O.2ClH.Hf/c1-7-6-10(4,5)9(3)8(7)2;3*1-2;;;/h1-5H3;3*2H,1H3;2*1H;/q-1;;;;;;/p-2.
What are the key properties of hafnium;methanol;1,2,3,5,5-pentamethylcyclopenta-1,3-diene;dichloride?
hafnium;methanol;1,2,3,5,5-pentamethylcyclopenta-1,3-diene;dichloride has a molecular weight of 480.75 g/mol, XLogP of -4.06, 0 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for hafnium;methanol;1,2,3,5,5-pentamethylcyclopenta-1,3-diene;dichloride is sourced from PubChem (CID 19422936), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).