1-cyclohexyl-1,2-dihydroinden-2-ide;cyclopenta-1,3-diene;hafnium(4+);dichloride

C20H22Cl2Hf — CID 160866287

IUPAC1-cyclohexyl-1,2-dihydroinden-2-ide;cyclopenta-1,3-diene;hafnium(4+);dichloride
SMILES[C-]1=Cc2ccccc2C1C1CCCCC1.[Cl-].[Cl-].[Hf+4].c1cc[cH-]c1
InChIInChI=1S/C15H17.C5H5.2ClH.Hf/c1-2-6-12(7-3-1)15-11-10-13-8-4-5-9-14(13)15;1-2-4-5-3-1;;;/h4-5,8-10,12,15H,1-3,6-7H2;1-5H;2*1H;/q2*-1;;;+4/p-2
InChIKeyBHVUPYRUUMPZGA-UHFFFAOYSA-L
MW511.79 g/mol
LogP-0.41
Rot. Bonds1

About 1-cyclohexyl-1,2-dihydroinden-2-ide;cyclopenta-1,3-diene;hafnium(4+);dichloride

1-cyclohexyl-1,2-dihydroinden-2-ide;cyclopenta-1,3-diene;hafnium(4+);dichloride (PubChem CID 160866287) has the molecular formula C20H22Cl2Hf and a molecular weight of 511.79 g/mol. Its IUPAC name is 1-cyclohexyl-1,2-dihydroinden-2-ide;cyclopenta-1,3-diene;hafnium(4+);dichloride.

Molecular Properties

Compound Name1-cyclohexyl-1,2-dihydroinden-2-ide;cyclopenta-1,3-diene;hafnium(4+);dichloride
PubChem CID160866287
Molecular FormulaC20H22Cl2Hf
Molecular Weight511.79 g/mol
Exact Mass512.06
IUPAC Name1-cyclohexyl-1,2-dihydroinden-2-ide;cyclopenta-1,3-diene;hafnium(4+);dichloride
SMILES[C-]1=Cc2ccccc2C1C1CCCCC1.[Cl-].[Cl-].[Hf+4].c1cc[cH-]c1
InChIInChI=1S/C15H17.C5H5.2ClH.Hf/c1-2-6-12(7-3-1)15-11-10-13-8-4-5-9-14(13)15;1-2-4-5-3-1;;;/h4-5,8-10,12,15H,1-3,6-7H2;1-5H;2*1H;/q2*-1;;;+4/p-2
InChIKeyBHVUPYRUUMPZGA-UHFFFAOYSA-L
XLogP-0.41
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds1
Heavy Atoms23
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500511.79
LogP ≤ 5-0.41
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

2-cyclohexyl-1-(1,2-dihydroinden-2-id-1-yl)-1H-indene;zirconium(3+);dichloride
CID 160521907
2-cyclohexyl-1-(1,2-dihydroinden-2-id-1-yl)-1H-indene;dimethylsilylidenezirconium(2+);dichloride
CID 160917637
cyclopenta-1,3-diene;1-[(2,6-difluorophenyl)methyl]-1,2-dihydroinden-2-ide;zirconium(4+);dichloride
CID 172834405
carbanide;cyclopenta-1,3-diene;hafnium;1-(2-methylpropyl)-1,2-dihydroinden-2-ide
CID 163362666
1-butan-2-yl-1,2-dihydroinden-2-ide;carbanide;cyclopenta-1,3-diene;hafnium
CID 163362651
2-cyclohexyltricyclo[9.4.0.03,8]pentadeca-1(15),3,5,7,9,11,13-heptaene
CID 134854212
1-cyclohexyl-1H-indene
CID 13380096
dibromotitanium;1-methyl-1,2-dihydroinden-2-ide
CID 174700744
hafnium(4+);1-propan-2-yl-1,2-dihydroinden-2-ide;4,5,6,7-tetrahydro-1H-inden-1-ide;dibromide
CID 158526037
1,2,3,4,5,5a,6,7,8,9,10,10a-dodecahydroheptalene;biphenylene
CID 161014557
hafnium;1-methyl-1,2-dihydroinden-2-ide;difluoride
CID 158792609
dimethylsilylidenezirconium(2+);bis(1-ethyl-1,2-dihydroinden-2-ide);dichloride
CID 161008960

Frequently Asked Questions

What is the IUPAC name of 1-cyclohexyl-1,2-dihydroinden-2-ide;cyclopenta-1,3-diene;hafnium(4+);dichloride?
The IUPAC name of 1-cyclohexyl-1,2-dihydroinden-2-ide;cyclopenta-1,3-diene;hafnium(4+);dichloride (CID 160866287) is 1-cyclohexyl-1,2-dihydroinden-2-ide;cyclopenta-1,3-diene;hafnium(4+);dichloride.
What is the SMILES notation for 1-cyclohexyl-1,2-dihydroinden-2-ide;cyclopenta-1,3-diene;hafnium(4+);dichloride?
The canonical SMILES for 1-cyclohexyl-1,2-dihydroinden-2-ide;cyclopenta-1,3-diene;hafnium(4+);dichloride is [C-]1=Cc2ccccc2C1C1CCCCC1.[Cl-].[Cl-].[Hf+4].c1cc[cH-]c1.
What is the InChIKey of 1-cyclohexyl-1,2-dihydroinden-2-ide;cyclopenta-1,3-diene;hafnium(4+);dichloride?
The InChIKey is BHVUPYRUUMPZGA-UHFFFAOYSA-L. The full InChI is InChI=1S/C15H17.C5H5.2ClH.Hf/c1-2-6-12(7-3-1)15-11-10-13-8-4-5-9-14(13)15;1-2-4-5-3-1;;;/h4-5,8-10,12,15H,1-3,6-7H2;1-5H;2*1H;/q2*-1;;;+4/p-2.
What are the key properties of 1-cyclohexyl-1,2-dihydroinden-2-ide;cyclopenta-1,3-diene;hafnium(4+);dichloride?
1-cyclohexyl-1,2-dihydroinden-2-ide;cyclopenta-1,3-diene;hafnium(4+);dichloride has a molecular weight of 511.79 g/mol, XLogP of -0.41, 1 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 1-cyclohexyl-1,2-dihydroinden-2-ide;cyclopenta-1,3-diene;hafnium(4+);dichloride is sourced from PubChem (CID 160866287), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).