2,2-dimethyl-5-pentyl-1,3-dihydro-s-indacen-5-ide;hafnium

C19H25Hf- — CID 175376617

IUPAC2,2-dimethyl-5-pentyl-1,3-dihydro-s-indacen-5-ide;hafnium
SMILESCCCCC[c-]1ccc2cc3c(cc21)CC(C)(C)C3.[Hf]
InChIInChI=1S/C19H25.Hf/c1-4-5-6-7-14-8-9-15-10-16-12-19(2,3)13-17(16)11-18(14)15;/h8-11H,4-7,12-13H2,1-3H3;/q-1;
InChIKeyATLLKZHZGBJBNG-UHFFFAOYSA-N
MW431.90 g/mol
LogP5.41
Rot. Bonds4

About 2,2-dimethyl-5-pentyl-1,3-dihydro-s-indacen-5-ide;hafnium

2,2-dimethyl-5-pentyl-1,3-dihydro-s-indacen-5-ide;hafnium (PubChem CID 175376617) has the molecular formula C19H25Hf- and a molecular weight of 431.90 g/mol. Its IUPAC name is 2,2-dimethyl-5-pentyl-1,3-dihydro-s-indacen-5-ide;hafnium.

Molecular Properties

Compound Name2,2-dimethyl-5-pentyl-1,3-dihydro-s-indacen-5-ide;hafnium
PubChem CID175376617
Molecular FormulaC19H25Hf-
Molecular Weight431.90 g/mol
Exact Mass433.14
IUPAC Name2,2-dimethyl-5-pentyl-1,3-dihydro-s-indacen-5-ide;hafnium
SMILESCCCCC[c-]1ccc2cc3c(cc21)CC(C)(C)C3.[Hf]
InChIInChI=1S/C19H25.Hf/c1-4-5-6-7-14-8-9-15-10-16-12-19(2,3)13-17(16)11-18(14)15;/h8-11H,4-7,12-13H2,1-3H3;/q-1;
InChIKeyATLLKZHZGBJBNG-UHFFFAOYSA-N
XLogP5.41
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500431.90
LogP ≤ 55.41
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 2,2-dimethyl-5-pentyl-1,3-dihydro-s-indacen-5-ide;hafnium?
The IUPAC name of 2,2-dimethyl-5-pentyl-1,3-dihydro-s-indacen-5-ide;hafnium (CID 175376617) is 2,2-dimethyl-5-pentyl-1,3-dihydro-s-indacen-5-ide;hafnium.
What is the SMILES notation for 2,2-dimethyl-5-pentyl-1,3-dihydro-s-indacen-5-ide;hafnium?
The canonical SMILES for 2,2-dimethyl-5-pentyl-1,3-dihydro-s-indacen-5-ide;hafnium is CCCCC[c-]1ccc2cc3c(cc21)CC(C)(C)C3.[Hf].
What is the InChIKey of 2,2-dimethyl-5-pentyl-1,3-dihydro-s-indacen-5-ide;hafnium?
The InChIKey is ATLLKZHZGBJBNG-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H25.Hf/c1-4-5-6-7-14-8-9-15-10-16-12-19(2,3)13-17(16)11-18(14)15;/h8-11H,4-7,12-13H2,1-3H3;/q-1;.
What are the key properties of 2,2-dimethyl-5-pentyl-1,3-dihydro-s-indacen-5-ide;hafnium?
2,2-dimethyl-5-pentyl-1,3-dihydro-s-indacen-5-ide;hafnium has a molecular weight of 431.90 g/mol, XLogP of 5.41, 4 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 2,2-dimethyl-5-pentyl-1,3-dihydro-s-indacen-5-ide;hafnium is sourced from PubChem (CID 175376617), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).