carbanide;cyclopenta-1,3-diene;ethane;hafnium;5-(2-methylpropyl)-2,3-dihydro-1H-s-indacen-5-ide

C27H41Hf-7 — CID 156678436

IUPACcarbanide;cyclopenta-1,3-diene;ethane;hafnium;5-(2-methylpropyl)-2,3-dihydro-1H-s-indacen-5-ide
SMILESCC(C)C[c-]1ccc2cc3c(cc21)CCC3.[CH2-]C.[CH3-].[CH3-].[CH3-].[CH3-].[Hf].c1cc[cH-]c1
InChIInChI=1S/C16H19.C5H5.C2H5.4CH3.Hf/c1-11(2)8-14-6-7-15-9-12-4-3-5-13(12)10-16(14)15;1-2-4-5-3-1;1-2;;;;;/h6-7,9-11H,3-5,8H2,1-2H3;1-5H;1H2,2H3;4*1H3;/q7*-1;
InChIKeyZMVSSYAZXGZQRK-UHFFFAOYSA-N
MW544.12 g/mol
LogP8.29
Rot. Bonds2

About carbanide;cyclopenta-1,3-diene;ethane;hafnium;5-(2-methylpropyl)-2,3-dihydro-1H-s-indacen-5-ide

carbanide;cyclopenta-1,3-diene;ethane;hafnium;5-(2-methylpropyl)-2,3-dihydro-1H-s-indacen-5-ide (PubChem CID 156678436) has the molecular formula C27H41Hf-7 and a molecular weight of 544.12 g/mol. Its IUPAC name is carbanide;cyclopenta-1,3-diene;ethane;hafnium;5-(2-methylpropyl)-2,3-dihydro-1H-s-indacen-5-ide.

Molecular Properties

Compound Namecarbanide;cyclopenta-1,3-diene;ethane;hafnium;5-(2-methylpropyl)-2,3-dihydro-1H-s-indacen-5-ide
PubChem CID156678436
Molecular FormulaC27H41Hf-7
Molecular Weight544.12 g/mol
Exact Mass545.27
IUPAC Namecarbanide;cyclopenta-1,3-diene;ethane;hafnium;5-(2-methylpropyl)-2,3-dihydro-1H-s-indacen-5-ide
SMILESCC(C)C[c-]1ccc2cc3c(cc21)CCC3.[CH2-]C.[CH3-].[CH3-].[CH3-].[CH3-].[Hf].c1cc[cH-]c1
InChIInChI=1S/C16H19.C5H5.C2H5.4CH3.Hf/c1-11(2)8-14-6-7-15-9-12-4-3-5-13(12)10-16(14)15;1-2-4-5-3-1;1-2;;;;;/h6-7,9-11H,3-5,8H2,1-2H3;1-5H;1H2,2H3;4*1H3;/q7*-1;
InChIKeyZMVSSYAZXGZQRK-UHFFFAOYSA-N
XLogP8.29
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds2
Heavy Atoms28
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500544.12
LogP ≤ 58.29
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 carbanide;cyclopenta-1,3-diene;ethane;hafnium;5-(2-methylpropyl)-2,3-dihydro-1H-s-indacen-5-ide?
The IUPAC name of carbanide;cyclopenta-1,3-diene;ethane;hafnium;5-(2-methylpropyl)-2,3-dihydro-1H-s-indacen-5-ide (CID 156678436) is carbanide;cyclopenta-1,3-diene;ethane;hafnium;5-(2-methylpropyl)-2,3-dihydro-1H-s-indacen-5-ide.
What is the SMILES notation for carbanide;cyclopenta-1,3-diene;ethane;hafnium;5-(2-methylpropyl)-2,3-dihydro-1H-s-indacen-5-ide?
The canonical SMILES for carbanide;cyclopenta-1,3-diene;ethane;hafnium;5-(2-methylpropyl)-2,3-dihydro-1H-s-indacen-5-ide is CC(C)C[c-]1ccc2cc3c(cc21)CCC3.[CH2-]C.[CH3-].[CH3-].[CH3-].[CH3-].[Hf].c1cc[cH-]c1.
What is the InChIKey of carbanide;cyclopenta-1,3-diene;ethane;hafnium;5-(2-methylpropyl)-2,3-dihydro-1H-s-indacen-5-ide?
The InChIKey is ZMVSSYAZXGZQRK-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H19.C5H5.C2H5.4CH3.Hf/c1-11(2)8-14-6-7-15-9-12-4-3-5-13(12)10-16(14)15;1-2-4-5-3-1;1-2;;;;;/h6-7,9-11H,3-5,8H2,1-2H3;1-5H;1H2,2H3;4*1H3;/q7*-1;.
What are the key properties of carbanide;cyclopenta-1,3-diene;ethane;hafnium;5-(2-methylpropyl)-2,3-dihydro-1H-s-indacen-5-ide?
carbanide;cyclopenta-1,3-diene;ethane;hafnium;5-(2-methylpropyl)-2,3-dihydro-1H-s-indacen-5-ide has a molecular weight of 544.12 g/mol, XLogP of 8.29, 2 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for carbanide;cyclopenta-1,3-diene;ethane;hafnium;5-(2-methylpropyl)-2,3-dihydro-1H-s-indacen-5-ide is sourced from PubChem (CID 156678436), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).