8-tert-butyl-2,3,6,7-tetrahydro-1H-as-indacen-7-ide;hafnium

C16H19Hf- — CID 175279302

IUPAC8-tert-butyl-2,3,6,7-tetrahydro-1H-as-indacen-7-ide;hafnium
SMILESCC(C)(C)C1=[C-]Cc2ccc3c(c21)CCC3.[Hf]
InChIInChI=1S/C16H19.Hf/c1-16(2,3)14-10-9-12-8-7-11-5-4-6-13(11)15(12)14;/h7-8H,4-6,9H2,1-3H3;/q-1;
InChIKeyLZLYYPXLVFFASH-UHFFFAOYSA-N
MW389.82 g/mol
LogP3.96
Rot. Bonds

About 8-tert-butyl-2,3,6,7-tetrahydro-1H-as-indacen-7-ide;hafnium

8-tert-butyl-2,3,6,7-tetrahydro-1H-as-indacen-7-ide;hafnium (PubChem CID 175279302) has the molecular formula C16H19Hf- and a molecular weight of 389.82 g/mol. Its IUPAC name is 8-tert-butyl-2,3,6,7-tetrahydro-1H-as-indacen-7-ide;hafnium.

Molecular Properties

Compound Name8-tert-butyl-2,3,6,7-tetrahydro-1H-as-indacen-7-ide;hafnium
PubChem CID175279302
Molecular FormulaC16H19Hf-
Molecular Weight389.82 g/mol
Exact Mass391.10
IUPAC Name8-tert-butyl-2,3,6,7-tetrahydro-1H-as-indacen-7-ide;hafnium
SMILESCC(C)(C)C1=[C-]Cc2ccc3c(c21)CCC3.[Hf]
InChIInChI=1S/C16H19.Hf/c1-16(2,3)14-10-9-12-8-7-11-5-4-6-13(11)15(12)14;/h7-8H,4-6,9H2,1-3H3;/q-1;
InChIKeyLZLYYPXLVFFASH-UHFFFAOYSA-N
XLogP3.96
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500389.82
LogP ≤ 53.96
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 8-tert-butyl-2,3,6,7-tetrahydro-1H-as-indacen-7-ide;hafnium?
The IUPAC name of 8-tert-butyl-2,3,6,7-tetrahydro-1H-as-indacen-7-ide;hafnium (CID 175279302) is 8-tert-butyl-2,3,6,7-tetrahydro-1H-as-indacen-7-ide;hafnium.
What is the SMILES notation for 8-tert-butyl-2,3,6,7-tetrahydro-1H-as-indacen-7-ide;hafnium?
The canonical SMILES for 8-tert-butyl-2,3,6,7-tetrahydro-1H-as-indacen-7-ide;hafnium is CC(C)(C)C1=[C-]Cc2ccc3c(c21)CCC3.[Hf].
What is the InChIKey of 8-tert-butyl-2,3,6,7-tetrahydro-1H-as-indacen-7-ide;hafnium?
The InChIKey is LZLYYPXLVFFASH-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H19.Hf/c1-16(2,3)14-10-9-12-8-7-11-5-4-6-13(11)15(12)14;/h7-8H,4-6,9H2,1-3H3;/q-1;.
What are the key properties of 8-tert-butyl-2,3,6,7-tetrahydro-1H-as-indacen-7-ide;hafnium?
8-tert-butyl-2,3,6,7-tetrahydro-1H-as-indacen-7-ide;hafnium has a molecular weight of 389.82 g/mol, XLogP of 3.96, 0 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 8-tert-butyl-2,3,6,7-tetrahydro-1H-as-indacen-7-ide;hafnium is sourced from PubChem (CID 175279302), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).