methanol;5-methyl-5-[(1-methylcyclopenta-2,4-dien-1-yl)methyl]cyclopenta-1,3-diene;zirconium

C14H19OZr- — CID 154439400

IUPACmethanol;5-methyl-5-[(1-methylcyclopenta-2,4-dien-1-yl)methyl]cyclopenta-1,3-diene;zirconium
SMILESCC1([CH-]C2(C)C=CC=C2)C=CC=C1.CO.[Zr]
InChIInChI=1S/C13H15.CH4O.Zr/c1-12(7-3-4-8-12)11-13(2)9-5-6-10-13;1-2;/h3-11H,1-2H3;2H,1H3;/q-1;;
InChIKeyYHKZDCCLTXQGII-UHFFFAOYSA-N
MW294.53 g/mol
LogP3.06
Rot. Bonds2

About methanol;5-methyl-5-[(1-methylcyclopenta-2,4-dien-1-yl)methyl]cyclopenta-1,3-diene;zirconium

methanol;5-methyl-5-[(1-methylcyclopenta-2,4-dien-1-yl)methyl]cyclopenta-1,3-diene;zirconium (PubChem CID 154439400) has the molecular formula C14H19OZr- and a molecular weight of 294.53 g/mol. Its IUPAC name is methanol;5-methyl-5-[(1-methylcyclopenta-2,4-dien-1-yl)methyl]cyclopenta-1,3-diene;zirconium.

Molecular Properties

Compound Namemethanol;5-methyl-5-[(1-methylcyclopenta-2,4-dien-1-yl)methyl]cyclopenta-1,3-diene;zirconium
PubChem CID154439400
Molecular FormulaC14H19OZr-
Molecular Weight294.53 g/mol
Exact Mass293.05
IUPAC Namemethanol;5-methyl-5-[(1-methylcyclopenta-2,4-dien-1-yl)methyl]cyclopenta-1,3-diene;zirconium
SMILESCC1([CH-]C2(C)C=CC=C2)C=CC=C1.CO.[Zr]
InChIInChI=1S/C13H15.CH4O.Zr/c1-12(7-3-4-8-12)11-13(2)9-5-6-10-13;1-2;/h3-11H,1-2H3;2H,1H3;/q-1;;
InChIKeyYHKZDCCLTXQGII-UHFFFAOYSA-N
XLogP3.06
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500294.53
LogP ≤ 53.06
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

Analyze methanol;5-methyl-5-[(1-methylcyclopenta-2,4-dien-1-yl)methyl]cyclopenta-1,3-diene;zirconium with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of methanol;5-methyl-5-[(1-methylcyclopenta-2,4-dien-1-yl)methyl]cyclopenta-1,3-diene;zirconium?
The IUPAC name of methanol;5-methyl-5-[(1-methylcyclopenta-2,4-dien-1-yl)methyl]cyclopenta-1,3-diene;zirconium (CID 154439400) is methanol;5-methyl-5-[(1-methylcyclopenta-2,4-dien-1-yl)methyl]cyclopenta-1,3-diene;zirconium.
What is the SMILES notation for methanol;5-methyl-5-[(1-methylcyclopenta-2,4-dien-1-yl)methyl]cyclopenta-1,3-diene;zirconium?
The canonical SMILES for methanol;5-methyl-5-[(1-methylcyclopenta-2,4-dien-1-yl)methyl]cyclopenta-1,3-diene;zirconium is CC1([CH-]C2(C)C=CC=C2)C=CC=C1.CO.[Zr].
What is the InChIKey of methanol;5-methyl-5-[(1-methylcyclopenta-2,4-dien-1-yl)methyl]cyclopenta-1,3-diene;zirconium?
The InChIKey is YHKZDCCLTXQGII-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H15.CH4O.Zr/c1-12(7-3-4-8-12)11-13(2)9-5-6-10-13;1-2;/h3-11H,1-2H3;2H,1H3;/q-1;;.
What are the key properties of methanol;5-methyl-5-[(1-methylcyclopenta-2,4-dien-1-yl)methyl]cyclopenta-1,3-diene;zirconium?
methanol;5-methyl-5-[(1-methylcyclopenta-2,4-dien-1-yl)methyl]cyclopenta-1,3-diene;zirconium has a molecular weight of 294.53 g/mol, XLogP of 3.06, 2 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for methanol;5-methyl-5-[(1-methylcyclopenta-2,4-dien-1-yl)methyl]cyclopenta-1,3-diene;zirconium is sourced from PubChem (CID 154439400), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).