1,3-dimethyl-1,2-dihydroinden-2-ide;hafnium;1,2,3,4-tetramethyl-5-propylcyclopenta-1,3-diene

C23H30Hf-2 — CID 154430208

IUPAC1,3-dimethyl-1,2-dihydroinden-2-ide;hafnium;1,2,3,4-tetramethyl-5-propylcyclopenta-1,3-diene
SMILESCC1=[C-]C(C)c2ccccc21.CCC[c-]1c(C)c(C)c(C)c1C.[Hf]
InChIInChI=1S/C12H19.C11H11.Hf/c1-6-7-12-10(4)8(2)9(3)11(12)5;1-8-7-9(2)11-6-4-3-5-10(8)11;/h6-7H2,1-5H3;3-6,8H,1-2H3;/q2*-1;
InChIKeySJPIJAIBERNMOG-UHFFFAOYSA-N
MW484.98 g/mol
LogP6.60
Rot. Bonds2

About 1,3-dimethyl-1,2-dihydroinden-2-ide;hafnium;1,2,3,4-tetramethyl-5-propylcyclopenta-1,3-diene

1,3-dimethyl-1,2-dihydroinden-2-ide;hafnium;1,2,3,4-tetramethyl-5-propylcyclopenta-1,3-diene (PubChem CID 154430208) has the molecular formula C23H30Hf-2 and a molecular weight of 484.98 g/mol. Its IUPAC name is 1,3-dimethyl-1,2-dihydroinden-2-ide;hafnium;1,2,3,4-tetramethyl-5-propylcyclopenta-1,3-diene.

Molecular Properties

Compound Name1,3-dimethyl-1,2-dihydroinden-2-ide;hafnium;1,2,3,4-tetramethyl-5-propylcyclopenta-1,3-diene
PubChem CID154430208
Molecular FormulaC23H30Hf-2
Molecular Weight484.98 g/mol
Exact Mass486.18
IUPAC Name1,3-dimethyl-1,2-dihydroinden-2-ide;hafnium;1,2,3,4-tetramethyl-5-propylcyclopenta-1,3-diene
SMILESCC1=[C-]C(C)c2ccccc21.CCC[c-]1c(C)c(C)c(C)c1C.[Hf]
InChIInChI=1S/C12H19.C11H11.Hf/c1-6-7-12-10(4)8(2)9(3)11(12)5;1-8-7-9(2)11-6-4-3-5-10(8)11;/h6-7H2,1-5H3;3-6,8H,1-2H3;/q2*-1;
InChIKeySJPIJAIBERNMOG-UHFFFAOYSA-N
XLogP6.60
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds2
Heavy Atoms24
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500484.98
LogP ≤ 56.60
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 1,3-dimethyl-1,2-dihydroinden-2-ide;hafnium;1,2,3,4-tetramethyl-5-propylcyclopenta-1,3-diene?
The IUPAC name of 1,3-dimethyl-1,2-dihydroinden-2-ide;hafnium;1,2,3,4-tetramethyl-5-propylcyclopenta-1,3-diene (CID 154430208) is 1,3-dimethyl-1,2-dihydroinden-2-ide;hafnium;1,2,3,4-tetramethyl-5-propylcyclopenta-1,3-diene.
What is the SMILES notation for 1,3-dimethyl-1,2-dihydroinden-2-ide;hafnium;1,2,3,4-tetramethyl-5-propylcyclopenta-1,3-diene?
The canonical SMILES for 1,3-dimethyl-1,2-dihydroinden-2-ide;hafnium;1,2,3,4-tetramethyl-5-propylcyclopenta-1,3-diene is CC1=[C-]C(C)c2ccccc21.CCC[c-]1c(C)c(C)c(C)c1C.[Hf].
What is the InChIKey of 1,3-dimethyl-1,2-dihydroinden-2-ide;hafnium;1,2,3,4-tetramethyl-5-propylcyclopenta-1,3-diene?
The InChIKey is SJPIJAIBERNMOG-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H19.C11H11.Hf/c1-6-7-12-10(4)8(2)9(3)11(12)5;1-8-7-9(2)11-6-4-3-5-10(8)11;/h6-7H2,1-5H3;3-6,8H,1-2H3;/q2*-1;.
What are the key properties of 1,3-dimethyl-1,2-dihydroinden-2-ide;hafnium;1,2,3,4-tetramethyl-5-propylcyclopenta-1,3-diene?
1,3-dimethyl-1,2-dihydroinden-2-ide;hafnium;1,2,3,4-tetramethyl-5-propylcyclopenta-1,3-diene has a molecular weight of 484.98 g/mol, XLogP of 6.60, 2 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 1,3-dimethyl-1,2-dihydroinden-2-ide;hafnium;1,2,3,4-tetramethyl-5-propylcyclopenta-1,3-diene is sourced from PubChem (CID 154430208), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).