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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Related Compounds

1-butan-2-yl-5,6-dimethyl-1,2-dihydroinden-2-ide;carbanide;cyclopenta-1,3-diene;hafnium
CID 156638237
carbanide;cyclopenta-1,3-diene;hafnium;1-(2-methylpropyl)-1,2-dihydroinden-2-ide
CID 163362666
lithium 1-propan-2-yl-1,2-dihydroinden-2-ide
CID 140544977
1-[bis(3-methylphenyl)methyl]-1,2-dihydroinden-2-ide;titanium(4+);trichloride
CID 159789565
1-[bis(3,5-dimethylphenyl)methyl]-1,2-dihydroinden-2-ide;titanium(4+);trichloride
CID 158843998
cyclopenta-1,3-diene;1-[(2,6-difluorophenyl)methyl]-1,2-dihydroinden-2-ide;zirconium(4+);dichloride
CID 172834405
hafnium(4+);1-propan-2-yl-1,2-dihydroinden-2-ide;4,5,6,7-tetrahydro-1H-inden-1-ide;dibromide
CID 158526037
1-cyclohexyl-1,2-dihydroinden-2-ide;cyclopenta-1,3-diene;hafnium(4+);dichloride
CID 160866287
hafnium;1-methyl-1,2-dihydroinden-2-ide;difluoride
CID 158792609
cyclopenta-1,3-diene;1,7-dimethyl-1,2-dihydroinden-2-ide;propane;zirconium(2+);dichloride
CID 172798604
carbanide;cyclopenta-1,3-diene;5,6-dimethyl-1-pentyl-1,2-dihydroinden-2-ide;hafnium
CID 156638100
carbanide;cyclopenta-1,3-diene;5,6-dimethyl-1-pentyl-1,2-dihydroinden-2-ide;hafnium
CID 156678434

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).