2-methyl-4-propyl-1H-inden-1-ide;zirconium

C13H15Zr- — CID 174349249

IUPAC2-methyl-4-propyl-1H-inden-1-ide;zirconium
SMILESCCCc1cccc2[cH-]c(C)cc12.[Zr]
InChIInChI=1S/C13H15.Zr/c1-3-5-11-6-4-7-12-8-10(2)9-13(11)12;/h4,6-9H,3,5H2,1-2H3;/q-1;
InChIKeyPXTIHCGQJDEKLR-UHFFFAOYSA-N
MW262.49 g/mol
LogP3.82
Rot. Bonds2

About 2-methyl-4-propyl-1H-inden-1-ide;zirconium

2-methyl-4-propyl-1H-inden-1-ide;zirconium (PubChem CID 174349249) has the molecular formula C13H15Zr- and a molecular weight of 262.49 g/mol. Its IUPAC name is 2-methyl-4-propyl-1H-inden-1-ide;zirconium.

Molecular Properties

Compound Name2-methyl-4-propyl-1H-inden-1-ide;zirconium
PubChem CID174349249
Molecular FormulaC13H15Zr-
Molecular Weight262.49 g/mol
Exact Mass261.02
IUPAC Name2-methyl-4-propyl-1H-inden-1-ide;zirconium
SMILESCCCc1cccc2[cH-]c(C)cc12.[Zr]
InChIInChI=1S/C13H15.Zr/c1-3-5-11-6-4-7-12-8-10(2)9-13(11)12;/h4,6-9H,3,5H2,1-2H3;/q-1;
InChIKeyPXTIHCGQJDEKLR-UHFFFAOYSA-N
XLogP3.82
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500262.49
LogP ≤ 53.82
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

CID 87847665
CID 87847665
4-ethyl-2-methyl-1H-inden-1-ide;tetramethylsilane;zirconium
CID 174376953
2,6-dimethyl-4-propyl-1H-inden-1-ide;zirconium(3+);dichloride
CID 172812508
7-ethyl-2-methyl-4-propyl-1H-inden-1-ide;zirconium(3+);dibromide
CID 161230348
4-(4-butylphenyl)-2-methyl-1H-inden-1-ide;zirconium
CID 142736081
bis(2,4-dimethyl-1H-inden-1-ide);bis(zirconium(2+));dichloride
CID 18538203
CID 173192664
CID 173192664
dichloro(dimethylsilylidene)zirconium;bis(2-methyl-4,6-dipropyl-1H-inden-1-ide)
CID 154053986
4-(3,5-dimethylphenyl)-2-methyl-1H-inden-1-ide;zirconium;dihydrochloride
CID 175331642
2,4-diethyl-1H-inden-1-ide;hafnium;dichloride
CID 159398719
1,3-dimethyl-5-propylnaphthalene
CID 57064883
hafnium;bis(2-methyl-4-propan-2-yl-1H-inden-1-ide)
CID 140767491

Frequently Asked Questions

What is the IUPAC name of 2-methyl-4-propyl-1H-inden-1-ide;zirconium?
The IUPAC name of 2-methyl-4-propyl-1H-inden-1-ide;zirconium (CID 174349249) is 2-methyl-4-propyl-1H-inden-1-ide;zirconium.
What is the SMILES notation for 2-methyl-4-propyl-1H-inden-1-ide;zirconium?
The canonical SMILES for 2-methyl-4-propyl-1H-inden-1-ide;zirconium is CCCc1cccc2[cH-]c(C)cc12.[Zr].
What is the InChIKey of 2-methyl-4-propyl-1H-inden-1-ide;zirconium?
The InChIKey is PXTIHCGQJDEKLR-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H15.Zr/c1-3-5-11-6-4-7-12-8-10(2)9-13(11)12;/h4,6-9H,3,5H2,1-2H3;/q-1;.
What are the key properties of 2-methyl-4-propyl-1H-inden-1-ide;zirconium?
2-methyl-4-propyl-1H-inden-1-ide;zirconium has a molecular weight of 262.49 g/mol, XLogP of 3.82, 2 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-4-propyl-1H-inden-1-ide;zirconium is sourced from PubChem (CID 174349249), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).