2,7-ditert-butyl-1H-indene;dichlorozirconium

C17H24Cl2Zr — CID 175509245

IUPAC2,7-ditert-butyl-1H-indene;dichlorozirconium
SMILESCC(C)(C)C1=Cc2cccc(C(C)(C)C)c2C1.Cl[Zr]Cl
InChIInChI=1S/C17H24.2ClH.Zr/c1-16(2,3)13-10-12-8-7-9-15(14(12)11-13)17(4,5)6;;;/h7-10H,11H2,1-6H3;2*1H;/q;;;+2/p-2
InChIKeyWDCAZNFZEJZKBP-UHFFFAOYSA-L
MW390.51 g/mol
LogP6.35
Rot. Bonds

About 2,7-ditert-butyl-1H-indene;dichlorozirconium

2,7-ditert-butyl-1H-indene;dichlorozirconium (PubChem CID 175509245) has the molecular formula C17H24Cl2Zr and a molecular weight of 390.51 g/mol. Its IUPAC name is 2,7-ditert-butyl-1H-indene;dichlorozirconium.

Molecular Properties

Compound Name2,7-ditert-butyl-1H-indene;dichlorozirconium
PubChem CID175509245
Molecular FormulaC17H24Cl2Zr
Molecular Weight390.51 g/mol
Exact Mass388.03
IUPAC Name2,7-ditert-butyl-1H-indene;dichlorozirconium
SMILESCC(C)(C)C1=Cc2cccc(C(C)(C)C)c2C1.Cl[Zr]Cl
InChIInChI=1S/C17H24.2ClH.Zr/c1-16(2,3)13-10-12-8-7-9-15(14(12)11-13)17(4,5)6;;;/h7-10H,11H2,1-6H3;2*1H;/q;;;+2/p-2
InChIKeyWDCAZNFZEJZKBP-UHFFFAOYSA-L
XLogP6.35
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds
Heavy Atoms20
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500390.51
LogP ≤ 56.35
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

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Related Compounds

2,6-ditert-butyl-7-methyl-1H-indene
CID 160772507
2-tert-butyl-1H-indene;zirconium
CID 159357994
CID 11225844
CID 11225844
2,6-ditert-butyl-1,5-dihydro-s-indacene;ethane
CID 158899228
sodium 2,6-ditert-butylphenolate
CID 23662146
2-(3,5-ditert-butylphenyl)-1H-indene;dichlorozirconium
CID 174234442
7-tert-butyl-3-methylidene-1,2-dihydroindene
CID 59813046
CID 175472927
CID 175472927
2-tert-butyl-4-(4-tert-butylphenyl)-1H-indene
CID 87188622
bis(4-tert-butyl-2-methylcyclopenta-1,3-dien-1-yl)-methylphosphane
CID 15847611
1,5-ditert-butyl-3-(chloromethylidene)cyclohexa-1,4-diene
CID 67941557
4,7-ditert-butyl-1,3-dihydroinden-2-one
CID 71145963

Frequently Asked Questions

What is the IUPAC name of 2,7-ditert-butyl-1H-indene;dichlorozirconium?
The IUPAC name of 2,7-ditert-butyl-1H-indene;dichlorozirconium (CID 175509245) is 2,7-ditert-butyl-1H-indene;dichlorozirconium.
What is the SMILES notation for 2,7-ditert-butyl-1H-indene;dichlorozirconium?
The canonical SMILES for 2,7-ditert-butyl-1H-indene;dichlorozirconium is CC(C)(C)C1=Cc2cccc(C(C)(C)C)c2C1.Cl[Zr]Cl.
What is the InChIKey of 2,7-ditert-butyl-1H-indene;dichlorozirconium?
The InChIKey is WDCAZNFZEJZKBP-UHFFFAOYSA-L. The full InChI is InChI=1S/C17H24.2ClH.Zr/c1-16(2,3)13-10-12-8-7-9-15(14(12)11-13)17(4,5)6;;;/h7-10H,11H2,1-6H3;2*1H;/q;;;+2/p-2.
What are the key properties of 2,7-ditert-butyl-1H-indene;dichlorozirconium?
2,7-ditert-butyl-1H-indene;dichlorozirconium has a molecular weight of 390.51 g/mol, XLogP of 6.35, 0 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 2,7-ditert-butyl-1H-indene;dichlorozirconium is sourced from PubChem (CID 175509245), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).