hafnium;5-propyl-2,3-dihydro-1H-s-indacen-5-ide

C15H17Hf- — CID 175279371

IUPAChafnium;5-propyl-2,3-dihydro-1H-s-indacen-5-ide
SMILESCCC[c-]1ccc2cc3c(cc21)CCC3.[Hf]
InChIInChI=1S/C15H17.Hf/c1-2-4-11-7-8-14-9-12-5-3-6-13(12)10-15(11)14;/h7-10H,2-6H2,1H3;/q-1;
InChIKeyOKOJADYQGZGNOY-UHFFFAOYSA-N
MW375.79 g/mol
LogP4.00
Rot. Bonds2

About hafnium;5-propyl-2,3-dihydro-1H-s-indacen-5-ide

hafnium;5-propyl-2,3-dihydro-1H-s-indacen-5-ide (PubChem CID 175279371) has the molecular formula C15H17Hf- and a molecular weight of 375.79 g/mol. Its IUPAC name is hafnium;5-propyl-2,3-dihydro-1H-s-indacen-5-ide.

Molecular Properties

Compound Namehafnium;5-propyl-2,3-dihydro-1H-s-indacen-5-ide
PubChem CID175279371
Molecular FormulaC15H17Hf-
Molecular Weight375.79 g/mol
Exact Mass377.08
IUPAC Namehafnium;5-propyl-2,3-dihydro-1H-s-indacen-5-ide
SMILESCCC[c-]1ccc2cc3c(cc21)CCC3.[Hf]
InChIInChI=1S/C15H17.Hf/c1-2-4-11-7-8-14-9-12-5-3-6-13(12)10-15(11)14;/h7-10H,2-6H2,1H3;/q-1;
InChIKeyOKOJADYQGZGNOY-UHFFFAOYSA-N
XLogP4.00
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500375.79
LogP ≤ 54.00
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 hafnium;5-propyl-2,3-dihydro-1H-s-indacen-5-ide?
The IUPAC name of hafnium;5-propyl-2,3-dihydro-1H-s-indacen-5-ide (CID 175279371) is hafnium;5-propyl-2,3-dihydro-1H-s-indacen-5-ide.
What is the SMILES notation for hafnium;5-propyl-2,3-dihydro-1H-s-indacen-5-ide?
The canonical SMILES for hafnium;5-propyl-2,3-dihydro-1H-s-indacen-5-ide is CCC[c-]1ccc2cc3c(cc21)CCC3.[Hf].
What is the InChIKey of hafnium;5-propyl-2,3-dihydro-1H-s-indacen-5-ide?
The InChIKey is OKOJADYQGZGNOY-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H17.Hf/c1-2-4-11-7-8-14-9-12-5-3-6-13(12)10-15(11)14;/h7-10H,2-6H2,1H3;/q-1;.
What are the key properties of hafnium;5-propyl-2,3-dihydro-1H-s-indacen-5-ide?
hafnium;5-propyl-2,3-dihydro-1H-s-indacen-5-ide has a molecular weight of 375.79 g/mol, XLogP of 4.00, 2 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for hafnium;5-propyl-2,3-dihydro-1H-s-indacen-5-ide is sourced from PubChem (CID 175279371), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).