cyclopenta-1,3-diene;dimethyl(2-phenylethyl)phosphane;hafnium;trichloride

C15H19Cl3HfP-5 — CID 173325288

IUPACcyclopenta-1,3-diene;dimethyl(2-phenylethyl)phosphane;hafnium;trichloride
SMILESCP(C)C[CH-]c1ccccc1.[C-]1=CC=CC1.[Cl-].[Cl-].[Cl-].[Hf]
InChIInChI=1S/C10H14P.C5H5.3ClH.Hf/c1-11(2)9-8-10-6-4-3-5-7-10;1-2-4-5-3-1;;;;/h3-8H,9H2,1-2H3;1-3H,4H2;3*1H;/q2*-1;;;;/p-3
InChIKeySESFVUCGKCXAMV-UHFFFAOYSA-K
MW515.14 g/mol
LogP-4.70
Rot. Bonds3

About cyclopenta-1,3-diene;dimethyl(2-phenylethyl)phosphane;hafnium;trichloride

cyclopenta-1,3-diene;dimethyl(2-phenylethyl)phosphane;hafnium;trichloride (PubChem CID 173325288) has the molecular formula C15H19Cl3HfP-5 and a molecular weight of 515.14 g/mol. Its IUPAC name is cyclopenta-1,3-diene;dimethyl(2-phenylethyl)phosphane;hafnium;trichloride.

Molecular Properties

Compound Namecyclopenta-1,3-diene;dimethyl(2-phenylethyl)phosphane;hafnium;trichloride
PubChem CID173325288
Molecular FormulaC15H19Cl3HfP-5
Molecular Weight515.14 g/mol
Exact Mass514.98
IUPAC Namecyclopenta-1,3-diene;dimethyl(2-phenylethyl)phosphane;hafnium;trichloride
SMILESCP(C)C[CH-]c1ccccc1.[C-]1=CC=CC1.[Cl-].[Cl-].[Cl-].[Hf]
InChIInChI=1S/C10H14P.C5H5.3ClH.Hf/c1-11(2)9-8-10-6-4-3-5-7-10;1-2-4-5-3-1;;;;/h3-8H,9H2,1-2H3;1-3H,4H2;3*1H;/q2*-1;;;;/p-3
InChIKeySESFVUCGKCXAMV-UHFFFAOYSA-K
XLogP-4.70
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500515.14
LogP ≤ 5-4.70
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

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

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Related Compounds

cyclopenta-1,3-diene;N,N-dimethyl-2-phenylethanamine;titanium(3+);trichloride
CID 173326880
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CID 22676391
bis(cyclopenta-1,3-diene);trimethyl(phenylmethyl)silane;zirconium(3+)
CID 23184968
bis(cyclopenta-1,3-diene);hafnium;hydride;methanidylbenzene
CID 173319869
cyclopenta-1,3-diene;trimethylphosphane;vanadium(2+);dichloride
CID 173256784
bis(1,1'-biphenyl);cyclopenta-1,3-diene;iron
CID 173207547
1,1'-biphenyl;bis(cyclopenta-1,3-diene);zirconium(2+)
CID 158996763
bis(cyclopenta-1,3-diene);naphthalene;nickel(2+)
CID 174807203
cyclopenta-1,3-diene;phenol;titanium;chloride
CID 19734747
cyclopenta-1,3-diene;ethane;vanadium;trichloride
CID 173025504
cyclopenta-1,3-diene;ethane;titanium(4+);chloride
CID 87905661
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CID 67644722

Frequently Asked Questions

What is the IUPAC name of cyclopenta-1,3-diene;dimethyl(2-phenylethyl)phosphane;hafnium;trichloride?
The IUPAC name of cyclopenta-1,3-diene;dimethyl(2-phenylethyl)phosphane;hafnium;trichloride (CID 173325288) is cyclopenta-1,3-diene;dimethyl(2-phenylethyl)phosphane;hafnium;trichloride.
What is the SMILES notation for cyclopenta-1,3-diene;dimethyl(2-phenylethyl)phosphane;hafnium;trichloride?
The canonical SMILES for cyclopenta-1,3-diene;dimethyl(2-phenylethyl)phosphane;hafnium;trichloride is CP(C)C[CH-]c1ccccc1.[C-]1=CC=CC1.[Cl-].[Cl-].[Cl-].[Hf].
What is the InChIKey of cyclopenta-1,3-diene;dimethyl(2-phenylethyl)phosphane;hafnium;trichloride?
The InChIKey is SESFVUCGKCXAMV-UHFFFAOYSA-K. The full InChI is InChI=1S/C10H14P.C5H5.3ClH.Hf/c1-11(2)9-8-10-6-4-3-5-7-10;1-2-4-5-3-1;;;;/h3-8H,9H2,1-2H3;1-3H,4H2;3*1H;/q2*-1;;;;/p-3.
What are the key properties of cyclopenta-1,3-diene;dimethyl(2-phenylethyl)phosphane;hafnium;trichloride?
cyclopenta-1,3-diene;dimethyl(2-phenylethyl)phosphane;hafnium;trichloride has a molecular weight of 515.14 g/mol, XLogP of -4.70, 3 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for cyclopenta-1,3-diene;dimethyl(2-phenylethyl)phosphane;hafnium;trichloride is sourced from PubChem (CID 173325288), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).