dichlorozirconium;7-methyl-2-propan-2-yl-1H-indene

C13H16Cl2Zr — CID 172740435

IUPACdichlorozirconium;7-methyl-2-propan-2-yl-1H-indene
SMILESCc1cccc2c1CC(C(C)C)=C2.Cl[Zr]Cl
InChIInChI=1S/C13H16.2ClH.Zr/c1-9(2)12-7-11-6-4-5-10(3)13(11)8-12;;;/h4-7,9H,8H2,1-3H3;2*1H;/q;;;+2/p-2
InChIKeyMXIZWJQSFIWSOZ-UHFFFAOYSA-L
MW334.40 g/mol
LogP4.97
Rot. Bonds1

About dichlorozirconium;7-methyl-2-propan-2-yl-1H-indene

dichlorozirconium;7-methyl-2-propan-2-yl-1H-indene (PubChem CID 172740435) has the molecular formula C13H16Cl2Zr and a molecular weight of 334.40 g/mol. Its IUPAC name is dichlorozirconium;7-methyl-2-propan-2-yl-1H-indene.

Molecular Properties

Compound Namedichlorozirconium;7-methyl-2-propan-2-yl-1H-indene
PubChem CID172740435
Molecular FormulaC13H16Cl2Zr
Molecular Weight334.40 g/mol
Exact Mass331.97
IUPAC Namedichlorozirconium;7-methyl-2-propan-2-yl-1H-indene
SMILESCc1cccc2c1CC(C(C)C)=C2.Cl[Zr]Cl
InChIInChI=1S/C13H16.2ClH.Zr/c1-9(2)12-7-11-6-4-5-10(3)13(11)8-12;;;/h4-7,9H,8H2,1-3H3;2*1H;/q;;;+2/p-2
InChIKeyMXIZWJQSFIWSOZ-UHFFFAOYSA-L
XLogP4.97
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds1
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500334.40
LogP ≤ 54.97
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

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Frequently Asked Questions

What is the IUPAC name of dichlorozirconium;7-methyl-2-propan-2-yl-1H-indene?
The IUPAC name of dichlorozirconium;7-methyl-2-propan-2-yl-1H-indene (CID 172740435) is dichlorozirconium;7-methyl-2-propan-2-yl-1H-indene.
What is the SMILES notation for dichlorozirconium;7-methyl-2-propan-2-yl-1H-indene?
The canonical SMILES for dichlorozirconium;7-methyl-2-propan-2-yl-1H-indene is Cc1cccc2c1CC(C(C)C)=C2.Cl[Zr]Cl.
What is the InChIKey of dichlorozirconium;7-methyl-2-propan-2-yl-1H-indene?
The InChIKey is MXIZWJQSFIWSOZ-UHFFFAOYSA-L. The full InChI is InChI=1S/C13H16.2ClH.Zr/c1-9(2)12-7-11-6-4-5-10(3)13(11)8-12;;;/h4-7,9H,8H2,1-3H3;2*1H;/q;;;+2/p-2.
What are the key properties of dichlorozirconium;7-methyl-2-propan-2-yl-1H-indene?
dichlorozirconium;7-methyl-2-propan-2-yl-1H-indene has a molecular weight of 334.40 g/mol, XLogP of 4.97, 1 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for dichlorozirconium;7-methyl-2-propan-2-yl-1H-indene is sourced from PubChem (CID 172740435), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).