butane;cyclopenta-1,3-diene;hafnium;trihydrochloride

C9H17Cl3Hf-2 — CID 173097750

IUPACbutane;cyclopenta-1,3-diene;hafnium;trihydrochloride
SMILESCl.Cl.Cl.[C-]1=CC=CC1.[CH2-]CCC.[Hf]
InChIInChI=1S/C5H5.C4H9.3ClH.Hf/c1-2-4-5-3-1;1-3-4-2;;;;/h1-3H,4H2;1,3-4H2,2H3;3*1H;/q2*-1;;;;
InChIKeyWWVUMQBWYCXZEE-UHFFFAOYSA-N
MW410.08 g/mol
LogP4.19
Rot. Bonds1

About butane;cyclopenta-1,3-diene;hafnium;trihydrochloride

butane;cyclopenta-1,3-diene;hafnium;trihydrochloride (PubChem CID 173097750) has the molecular formula C9H17Cl3Hf-2 and a molecular weight of 410.08 g/mol. Its IUPAC name is butane;cyclopenta-1,3-diene;hafnium;trihydrochloride.

Molecular Properties

Compound Namebutane;cyclopenta-1,3-diene;hafnium;trihydrochloride
PubChem CID173097750
Molecular FormulaC9H17Cl3Hf-2
Molecular Weight410.08 g/mol
Exact Mass409.99
IUPAC Namebutane;cyclopenta-1,3-diene;hafnium;trihydrochloride
SMILESCl.Cl.Cl.[C-]1=CC=CC1.[CH2-]CCC.[Hf]
InChIInChI=1S/C5H5.C4H9.3ClH.Hf/c1-2-4-5-3-1;1-3-4-2;;;;/h1-3H,4H2;1,3-4H2,2H3;3*1H;/q2*-1;;;;
InChIKeyWWVUMQBWYCXZEE-UHFFFAOYSA-N
XLogP4.19
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds1
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500410.08
LogP ≤ 54.19
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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Related Compounds

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Frequently Asked Questions

What is the IUPAC name of butane;cyclopenta-1,3-diene;hafnium;trihydrochloride?
The IUPAC name of butane;cyclopenta-1,3-diene;hafnium;trihydrochloride (CID 173097750) is butane;cyclopenta-1,3-diene;hafnium;trihydrochloride.
What is the SMILES notation for butane;cyclopenta-1,3-diene;hafnium;trihydrochloride?
The canonical SMILES for butane;cyclopenta-1,3-diene;hafnium;trihydrochloride is Cl.Cl.Cl.[C-]1=CC=CC1.[CH2-]CCC.[Hf].
What is the InChIKey of butane;cyclopenta-1,3-diene;hafnium;trihydrochloride?
The InChIKey is WWVUMQBWYCXZEE-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H5.C4H9.3ClH.Hf/c1-2-4-5-3-1;1-3-4-2;;;;/h1-3H,4H2;1,3-4H2,2H3;3*1H;/q2*-1;;;;.
What are the key properties of butane;cyclopenta-1,3-diene;hafnium;trihydrochloride?
butane;cyclopenta-1,3-diene;hafnium;trihydrochloride has a molecular weight of 410.08 g/mol, XLogP of 4.19, 1 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for butane;cyclopenta-1,3-diene;hafnium;trihydrochloride is sourced from PubChem (CID 173097750), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).