5-(cyclopenta-2,4-dien-1-ylmethyl)cyclopenta-1,3-diene;ethanolate;hafnium(4+)

C17H26HfO3 — CID 158437832

IUPAC5-(cyclopenta-2,4-dien-1-ylmethyl)cyclopenta-1,3-diene;ethanolate;hafnium(4+)
SMILESC1=CC([CH-]C2C=CC=C2)C=C1.CC[O-].CC[O-].CC[O-].[Hf+4]
InChIInChI=1S/C11H11.3C2H5O.Hf/c1-2-6-10(5-1)9-11-7-3-4-8-11;3*1-2-3;/h1-11H;3*2H2,1H3;/q4*-1;+4
InChIKeyHCLJODJNKUMFJX-UHFFFAOYSA-N
MW456.88 g/mol
LogP0.77
Rot. Bonds2

About 5-(cyclopenta-2,4-dien-1-ylmethyl)cyclopenta-1,3-diene;ethanolate;hafnium(4+)

5-(cyclopenta-2,4-dien-1-ylmethyl)cyclopenta-1,3-diene;ethanolate;hafnium(4+) (PubChem CID 158437832) has the molecular formula C17H26HfO3 and a molecular weight of 456.88 g/mol. Its IUPAC name is 5-(cyclopenta-2,4-dien-1-ylmethyl)cyclopenta-1,3-diene;ethanolate;hafnium(4+).

Molecular Properties

Compound Name5-(cyclopenta-2,4-dien-1-ylmethyl)cyclopenta-1,3-diene;ethanolate;hafnium(4+)
PubChem CID158437832
Molecular FormulaC17H26HfO3
Molecular Weight456.88 g/mol
Exact Mass458.13
IUPAC Name5-(cyclopenta-2,4-dien-1-ylmethyl)cyclopenta-1,3-diene;ethanolate;hafnium(4+)
SMILESC1=CC([CH-]C2C=CC=C2)C=C1.CC[O-].CC[O-].CC[O-].[Hf+4]
InChIInChI=1S/C11H11.3C2H5O.Hf/c1-2-6-10(5-1)9-11-7-3-4-8-11;3*1-2-3;/h1-11H;3*2H2,1H3;/q4*-1;+4
InChIKeyHCLJODJNKUMFJX-UHFFFAOYSA-N
XLogP0.77
TPSA69.18 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500456.88
LogP ≤ 50.77
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

ethanolate;hafnium(4+);hydroxide
CID 175748705
ethanolate;vanadium(4+);chloride;hydroxide
CID 102059905
potassium ethanolate
CID 23670592
ethanolate;vanadium(2+)
CID 160956004
erbium(3+);ethanolate
CID 14029842
ethanolate;niobium
CID 18534493
CID 159434150
CID 159434150
5,6-diethylcyclohexa-1,3-diene
CID 556515
5-ethylcyclopenta-1,3-diene;hafnium
CID 174248869
ethanolate;titanium(4+);tribromide
CID 174281065
diazanium;ethanolate;bromide
CID 141441986
triazanium;ethanolate;chloride
CID 141132734

Frequently Asked Questions

What is the IUPAC name of 5-(cyclopenta-2,4-dien-1-ylmethyl)cyclopenta-1,3-diene;ethanolate;hafnium(4+)?
The IUPAC name of 5-(cyclopenta-2,4-dien-1-ylmethyl)cyclopenta-1,3-diene;ethanolate;hafnium(4+) (CID 158437832) is 5-(cyclopenta-2,4-dien-1-ylmethyl)cyclopenta-1,3-diene;ethanolate;hafnium(4+).
What is the SMILES notation for 5-(cyclopenta-2,4-dien-1-ylmethyl)cyclopenta-1,3-diene;ethanolate;hafnium(4+)?
The canonical SMILES for 5-(cyclopenta-2,4-dien-1-ylmethyl)cyclopenta-1,3-diene;ethanolate;hafnium(4+) is C1=CC([CH-]C2C=CC=C2)C=C1.CC[O-].CC[O-].CC[O-].[Hf+4].
What is the InChIKey of 5-(cyclopenta-2,4-dien-1-ylmethyl)cyclopenta-1,3-diene;ethanolate;hafnium(4+)?
The InChIKey is HCLJODJNKUMFJX-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H11.3C2H5O.Hf/c1-2-6-10(5-1)9-11-7-3-4-8-11;3*1-2-3;/h1-11H;3*2H2,1H3;/q4*-1;+4.
What are the key properties of 5-(cyclopenta-2,4-dien-1-ylmethyl)cyclopenta-1,3-diene;ethanolate;hafnium(4+)?
5-(cyclopenta-2,4-dien-1-ylmethyl)cyclopenta-1,3-diene;ethanolate;hafnium(4+) has a molecular weight of 456.88 g/mol, XLogP of 0.77, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(cyclopenta-2,4-dien-1-ylmethyl)cyclopenta-1,3-diene;ethanolate;hafnium(4+) is sourced from PubChem (CID 158437832), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).