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

C25H41Hf-9 — CID 163362651

IUPAC1-butan-2-yl-1,2-dihydroinden-2-ide;carbanide;cyclopenta-1,3-diene;hafnium
SMILESCCC(C)C1[C-]=Cc2ccccc21.[CH3-].[CH3-].[CH3-].[CH3-].[CH3-].[CH3-].[CH3-].[Hf].c1cc[cH-]c1
InChIInChI=1S/C13H15.C5H5.7CH3.Hf/c1-3-10(2)12-9-8-11-6-4-5-7-13(11)12;1-2-4-5-3-1;;;;;;;;/h4-8,10,12H,3H2,1-2H3;1-5H;7*1H3;/q9*-1;
InChIKeyCMDDGMGYHRWMEX-UHFFFAOYSA-N
MW520.09 g/mol
LogP8.20
Rot. Bonds2

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

1-butan-2-yl-1,2-dihydroinden-2-ide;carbanide;cyclopenta-1,3-diene;hafnium (PubChem CID 163362651) has the molecular formula C25H41Hf-9 and a molecular weight of 520.09 g/mol. Its IUPAC name is 1-butan-2-yl-1,2-dihydroinden-2-ide;carbanide;cyclopenta-1,3-diene;hafnium.

Molecular Properties

Compound Name1-butan-2-yl-1,2-dihydroinden-2-ide;carbanide;cyclopenta-1,3-diene;hafnium
PubChem CID163362651
Molecular FormulaC25H41Hf-9
Molecular Weight520.09 g/mol
Exact Mass521.27
IUPAC Name1-butan-2-yl-1,2-dihydroinden-2-ide;carbanide;cyclopenta-1,3-diene;hafnium
SMILESCCC(C)C1[C-]=Cc2ccccc21.[CH3-].[CH3-].[CH3-].[CH3-].[CH3-].[CH3-].[CH3-].[Hf].c1cc[cH-]c1
InChIInChI=1S/C13H15.C5H5.7CH3.Hf/c1-3-10(2)12-9-8-11-6-4-5-7-13(11)12;1-2-4-5-3-1;;;;;;;;/h4-8,10,12H,3H2,1-2H3;1-5H;7*1H3;/q9*-1;
InChIKeyCMDDGMGYHRWMEX-UHFFFAOYSA-N
XLogP8.20
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds2
Heavy Atoms26
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500520.09
LogP ≤ 58.20
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-1,2-dihydroinden-2-ide;carbanide;cyclopenta-1,3-diene;hafnium?
The IUPAC name of 1-butan-2-yl-1,2-dihydroinden-2-ide;carbanide;cyclopenta-1,3-diene;hafnium (CID 163362651) is 1-butan-2-yl-1,2-dihydroinden-2-ide;carbanide;cyclopenta-1,3-diene;hafnium.
What is the SMILES notation for 1-butan-2-yl-1,2-dihydroinden-2-ide;carbanide;cyclopenta-1,3-diene;hafnium?
The canonical SMILES for 1-butan-2-yl-1,2-dihydroinden-2-ide;carbanide;cyclopenta-1,3-diene;hafnium is CCC(C)C1[C-]=Cc2ccccc21.[CH3-].[CH3-].[CH3-].[CH3-].[CH3-].[CH3-].[CH3-].[Hf].c1cc[cH-]c1.
What is the InChIKey of 1-butan-2-yl-1,2-dihydroinden-2-ide;carbanide;cyclopenta-1,3-diene;hafnium?
The InChIKey is CMDDGMGYHRWMEX-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H15.C5H5.7CH3.Hf/c1-3-10(2)12-9-8-11-6-4-5-7-13(11)12;1-2-4-5-3-1;;;;;;;;/h4-8,10,12H,3H2,1-2H3;1-5H;7*1H3;/q9*-1;.
What are the key properties of 1-butan-2-yl-1,2-dihydroinden-2-ide;carbanide;cyclopenta-1,3-diene;hafnium?
1-butan-2-yl-1,2-dihydroinden-2-ide;carbanide;cyclopenta-1,3-diene;hafnium has a molecular weight of 520.09 g/mol, XLogP of 8.20, 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-1,2-dihydroinden-2-ide;carbanide;cyclopenta-1,3-diene;hafnium is sourced from PubChem (CID 163362651), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).