2-propan-2-yl-4,5,6,7-tetrahydro-1H-indene;zirconium

C12H18Zr — CID 175289139

IUPAC2-propan-2-yl-4,5,6,7-tetrahydro-1H-indene;zirconium
SMILESCC(C)C1=CC2=C(CCCC2)C1.[Zr]
InChIInChI=1S/C12H18.Zr/c1-9(2)12-7-10-5-3-4-6-11(10)8-12;/h7,9H,3-6,8H2,1-2H3;
InChIKeyJJVZZXVQZXFTRL-UHFFFAOYSA-N
MW253.50 g/mol
LogP3.84
Rot. Bonds1

About 2-propan-2-yl-4,5,6,7-tetrahydro-1H-indene;zirconium

2-propan-2-yl-4,5,6,7-tetrahydro-1H-indene;zirconium (PubChem CID 175289139) has the molecular formula C12H18Zr and a molecular weight of 253.50 g/mol. Its IUPAC name is 2-propan-2-yl-4,5,6,7-tetrahydro-1H-indene;zirconium.

Molecular Properties

Compound Name2-propan-2-yl-4,5,6,7-tetrahydro-1H-indene;zirconium
PubChem CID175289139
Molecular FormulaC12H18Zr
Molecular Weight253.50 g/mol
Exact Mass252.05
IUPAC Name2-propan-2-yl-4,5,6,7-tetrahydro-1H-indene;zirconium
SMILESCC(C)C1=CC2=C(CCCC2)C1.[Zr]
InChIInChI=1S/C12H18.Zr/c1-9(2)12-7-10-5-3-4-6-11(10)8-12;/h7,9H,3-6,8H2,1-2H3;
InChIKeyJJVZZXVQZXFTRL-UHFFFAOYSA-N
XLogP3.84
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds1
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500253.50
LogP ≤ 53.84
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

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Frequently Asked Questions

What is the IUPAC name of 2-propan-2-yl-4,5,6,7-tetrahydro-1H-indene;zirconium?
The IUPAC name of 2-propan-2-yl-4,5,6,7-tetrahydro-1H-indene;zirconium (CID 175289139) is 2-propan-2-yl-4,5,6,7-tetrahydro-1H-indene;zirconium.
What is the SMILES notation for 2-propan-2-yl-4,5,6,7-tetrahydro-1H-indene;zirconium?
The canonical SMILES for 2-propan-2-yl-4,5,6,7-tetrahydro-1H-indene;zirconium is CC(C)C1=CC2=C(CCCC2)C1.[Zr].
What is the InChIKey of 2-propan-2-yl-4,5,6,7-tetrahydro-1H-indene;zirconium?
The InChIKey is JJVZZXVQZXFTRL-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H18.Zr/c1-9(2)12-7-10-5-3-4-6-11(10)8-12;/h7,9H,3-6,8H2,1-2H3;.
What are the key properties of 2-propan-2-yl-4,5,6,7-tetrahydro-1H-indene;zirconium?
2-propan-2-yl-4,5,6,7-tetrahydro-1H-indene;zirconium has a molecular weight of 253.50 g/mol, XLogP of 3.84, 1 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 2-propan-2-yl-4,5,6,7-tetrahydro-1H-indene;zirconium is sourced from PubChem (CID 175289139), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).