hafnium(4+);bis(2-propan-2-yl-2,3,3a,4-tetrahydro-1H-inden-1-ide);dichloride

C24H34Cl2Hf — CID 174428594

IUPAChafnium(4+);bis(2-propan-2-yl-2,3,3a,4-tetrahydro-1H-inden-1-ide);dichloride
SMILESCC(C)C1[CH-]C2=CC=CCC2C1.CC(C)C1[CH-]C2=CC=CCC2C1.[Cl-].[Cl-].[Hf+4]
InChIInChI=1S/2C12H17.2ClH.Hf/c2*1-9(2)12-7-10-5-3-4-6-11(10)8-12;;;/h2*3-5,7,9,11-12H,6,8H2,1-2H3;2*1H;/q2*-1;;;+4/p-2
InChIKeyXETGOSUGAMXXLZ-UHFFFAOYSA-L
MW571.93 g/mol
LogP0.74
Rot. Bonds2

About hafnium(4+);bis(2-propan-2-yl-2,3,3a,4-tetrahydro-1H-inden-1-ide);dichloride

hafnium(4+);bis(2-propan-2-yl-2,3,3a,4-tetrahydro-1H-inden-1-ide);dichloride (PubChem CID 174428594) has the molecular formula C24H34Cl2Hf and a molecular weight of 571.93 g/mol. Its IUPAC name is hafnium(4+);bis(2-propan-2-yl-2,3,3a,4-tetrahydro-1H-inden-1-ide);dichloride.

Molecular Properties

Compound Namehafnium(4+);bis(2-propan-2-yl-2,3,3a,4-tetrahydro-1H-inden-1-ide);dichloride
PubChem CID174428594
Molecular FormulaC24H34Cl2Hf
Molecular Weight571.93 g/mol
Exact Mass572.15
IUPAC Namehafnium(4+);bis(2-propan-2-yl-2,3,3a,4-tetrahydro-1H-inden-1-ide);dichloride
SMILESCC(C)C1[CH-]C2=CC=CCC2C1.CC(C)C1[CH-]C2=CC=CCC2C1.[Cl-].[Cl-].[Hf+4]
InChIInChI=1S/2C12H17.2ClH.Hf/c2*1-9(2)12-7-10-5-3-4-6-11(10)8-12;;;/h2*3-5,7,9,11-12H,6,8H2,1-2H3;2*1H;/q2*-1;;;+4/p-2
InChIKeyXETGOSUGAMXXLZ-UHFFFAOYSA-L
XLogP0.74
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds2
Heavy Atoms27
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500571.93
LogP ≤ 50.74
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Carbo_cation/anion', 'substructure': 'N/A'}

Analyze hafnium(4+);bis(2-propan-2-yl-2,3,3a,4-tetrahydro-1H-inden-1-ide);dichloride with MolForge

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Related Compounds

bis(2-cyclopentyl-2,3,3a,4-tetrahydro-1H-inden-1-ide);zirconium(4+);dichloride
CID 160715988
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CID 173073276
zinc;2,3,3a,4-tetrahydro-1H-inden-1-ide;dichloride
CID 172750129
bis(2,3,3a,4-tetrahydro-1H-inden-1-ide);zirconium(4+);dibromide
CID 159694847
bis(2,3,3a,4-tetrahydro-1H-inden-1-ide);ethane;silylidenetitanium;dihydrochloride
CID 173213166
bis(2,3,3a,4-tetrahydro-1H-inden-1-ide);1,1-dichloropropan-2-ylidenetitanium(2+)
CID 151071578
bis(2,3,3a,4-tetrahydro-1H-inden-1-ide);carbanide;silylidenezirconium
CID 173216117
6-methyl-1-propan-2-ylcyclohexa-1,3-diene
CID 22481425
1-cyclopenta-2,4-dien-1-yl-2-methyl-2,3,3a,4-tetrahydro-1H-indene
CID 140970870
2-methyl-2,3,3a,4-tetrahydroindol-1-ide
CID 19835384
CID 172847750
CID 172847750
2,3,3a,4-tetrahydro-1H-inden-1-ide;1,2,3,4,5-pentamethylcyclopenta-1,3-diene;titanium(2+)
CID 151210146

Frequently Asked Questions

What is the IUPAC name of hafnium(4+);bis(2-propan-2-yl-2,3,3a,4-tetrahydro-1H-inden-1-ide);dichloride?
The IUPAC name of hafnium(4+);bis(2-propan-2-yl-2,3,3a,4-tetrahydro-1H-inden-1-ide);dichloride (CID 174428594) is hafnium(4+);bis(2-propan-2-yl-2,3,3a,4-tetrahydro-1H-inden-1-ide);dichloride.
What is the SMILES notation for hafnium(4+);bis(2-propan-2-yl-2,3,3a,4-tetrahydro-1H-inden-1-ide);dichloride?
The canonical SMILES for hafnium(4+);bis(2-propan-2-yl-2,3,3a,4-tetrahydro-1H-inden-1-ide);dichloride is CC(C)C1[CH-]C2=CC=CCC2C1.CC(C)C1[CH-]C2=CC=CCC2C1.[Cl-].[Cl-].[Hf+4].
What is the InChIKey of hafnium(4+);bis(2-propan-2-yl-2,3,3a,4-tetrahydro-1H-inden-1-ide);dichloride?
The InChIKey is XETGOSUGAMXXLZ-UHFFFAOYSA-L. The full InChI is InChI=1S/2C12H17.2ClH.Hf/c2*1-9(2)12-7-10-5-3-4-6-11(10)8-12;;;/h2*3-5,7,9,11-12H,6,8H2,1-2H3;2*1H;/q2*-1;;;+4/p-2.
What are the key properties of hafnium(4+);bis(2-propan-2-yl-2,3,3a,4-tetrahydro-1H-inden-1-ide);dichloride?
hafnium(4+);bis(2-propan-2-yl-2,3,3a,4-tetrahydro-1H-inden-1-ide);dichloride has a molecular weight of 571.93 g/mol, XLogP of 0.74, 2 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for hafnium(4+);bis(2-propan-2-yl-2,3,3a,4-tetrahydro-1H-inden-1-ide);dichloride is sourced from PubChem (CID 174428594), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).