1-butan-2-yl-5,6-dimethyl-1,2-dihydroinden-2-ide;carbanide;cyclopenta-1,3-diene;hafnium

C25H39Hf-7 — CID 156638237

IUPAC1-butan-2-yl-5,6-dimethyl-1,2-dihydroinden-2-ide;carbanide;cyclopenta-1,3-diene;hafnium
SMILESCCC(C)C1[C-]=Cc2cc(C)c(C)cc21.[CH3-].[CH3-].[CH3-].[CH3-].[CH3-].[Hf].c1cc[cH-]c1
InChIInChI=1S/C15H19.C5H5.5CH3.Hf/c1-5-10(2)14-7-6-13-8-11(3)12(4)9-15(13)14;1-2-4-5-3-1;;;;;;/h6,8-10,14H,5H2,1-4H3;1-5H;5*1H3;/q7*-1;
InChIKeySEPHWAWZSIGKRB-UHFFFAOYSA-N
MW518.08 g/mol
LogP7.92
Rot. Bonds2

About 1-butan-2-yl-5,6-dimethyl-1,2-dihydroinden-2-ide;carbanide;cyclopenta-1,3-diene;hafnium

1-butan-2-yl-5,6-dimethyl-1,2-dihydroinden-2-ide;carbanide;cyclopenta-1,3-diene;hafnium (PubChem CID 156638237) has the molecular formula C25H39Hf-7 and a molecular weight of 518.08 g/mol. Its IUPAC name is 1-butan-2-yl-5,6-dimethyl-1,2-dihydroinden-2-ide;carbanide;cyclopenta-1,3-diene;hafnium.

Molecular Properties

Compound Name1-butan-2-yl-5,6-dimethyl-1,2-dihydroinden-2-ide;carbanide;cyclopenta-1,3-diene;hafnium
PubChem CID156638237
Molecular FormulaC25H39Hf-7
Molecular Weight518.08 g/mol
Exact Mass519.26
IUPAC Name1-butan-2-yl-5,6-dimethyl-1,2-dihydroinden-2-ide;carbanide;cyclopenta-1,3-diene;hafnium
SMILESCCC(C)C1[C-]=Cc2cc(C)c(C)cc21.[CH3-].[CH3-].[CH3-].[CH3-].[CH3-].[Hf].c1cc[cH-]c1
InChIInChI=1S/C15H19.C5H5.5CH3.Hf/c1-5-10(2)14-7-6-13-8-11(3)12(4)9-15(13)14;1-2-4-5-3-1;;;;;;/h6,8-10,14H,5H2,1-4H3;1-5H;5*1H3;/q7*-1;
InChIKeySEPHWAWZSIGKRB-UHFFFAOYSA-N
XLogP7.92
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds2
Heavy Atoms26
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500518.08
LogP ≤ 57.92
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-butan-2-yl-5,6-dimethyl-1,2-dihydroinden-2-ide;carbanide;cyclopenta-1,3-diene;hafnium?
The IUPAC name of 1-butan-2-yl-5,6-dimethyl-1,2-dihydroinden-2-ide;carbanide;cyclopenta-1,3-diene;hafnium (CID 156638237) is 1-butan-2-yl-5,6-dimethyl-1,2-dihydroinden-2-ide;carbanide;cyclopenta-1,3-diene;hafnium.
What is the SMILES notation for 1-butan-2-yl-5,6-dimethyl-1,2-dihydroinden-2-ide;carbanide;cyclopenta-1,3-diene;hafnium?
The canonical SMILES for 1-butan-2-yl-5,6-dimethyl-1,2-dihydroinden-2-ide;carbanide;cyclopenta-1,3-diene;hafnium is CCC(C)C1[C-]=Cc2cc(C)c(C)cc21.[CH3-].[CH3-].[CH3-].[CH3-].[CH3-].[Hf].c1cc[cH-]c1.
What is the InChIKey of 1-butan-2-yl-5,6-dimethyl-1,2-dihydroinden-2-ide;carbanide;cyclopenta-1,3-diene;hafnium?
The InChIKey is SEPHWAWZSIGKRB-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H19.C5H5.5CH3.Hf/c1-5-10(2)14-7-6-13-8-11(3)12(4)9-15(13)14;1-2-4-5-3-1;;;;;;/h6,8-10,14H,5H2,1-4H3;1-5H;5*1H3;/q7*-1;.
What are the key properties of 1-butan-2-yl-5,6-dimethyl-1,2-dihydroinden-2-ide;carbanide;cyclopenta-1,3-diene;hafnium?
1-butan-2-yl-5,6-dimethyl-1,2-dihydroinden-2-ide;carbanide;cyclopenta-1,3-diene;hafnium has a molecular weight of 518.08 g/mol, XLogP of 7.92, 2 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 1-butan-2-yl-5,6-dimethyl-1,2-dihydroinden-2-ide;carbanide;cyclopenta-1,3-diene;hafnium is sourced from PubChem (CID 156638237), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).