2,2-di(cyclopenta-2,4-dien-1-yl)ethanol;zirconium

C12H14OZr — CID 154416903

IUPAC2,2-di(cyclopenta-2,4-dien-1-yl)ethanol;zirconium
SMILESOCC(C1C=CC=C1)C1C=CC=C1.[Zr]
InChIInChI=1S/C12H14O.Zr/c13-9-12(10-5-1-2-6-10)11-7-3-4-8-11;/h1-8,10-13H,9H2;
InChIKeyGBLUXMRTTOFBGZ-UHFFFAOYSA-N
MW265.47 g/mol
LogP2.08
Rot. Bonds3

About 2,2-di(cyclopenta-2,4-dien-1-yl)ethanol;zirconium

2,2-di(cyclopenta-2,4-dien-1-yl)ethanol;zirconium (PubChem CID 154416903) has the molecular formula C12H14OZr and a molecular weight of 265.47 g/mol. Its IUPAC name is 2,2-di(cyclopenta-2,4-dien-1-yl)ethanol;zirconium.

Molecular Properties

Compound Name2,2-di(cyclopenta-2,4-dien-1-yl)ethanol;zirconium
PubChem CID154416903
Molecular FormulaC12H14OZr
Molecular Weight265.47 g/mol
Exact Mass264.01
IUPAC Name2,2-di(cyclopenta-2,4-dien-1-yl)ethanol;zirconium
SMILESOCC(C1C=CC=C1)C1C=CC=C1.[Zr]
InChIInChI=1S/C12H14O.Zr/c13-9-12(10-5-1-2-6-10)11-7-3-4-8-11;/h1-8,10-13H,9H2;
InChIKeyGBLUXMRTTOFBGZ-UHFFFAOYSA-N
XLogP2.08
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500265.47
LogP ≤ 52.08
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Analyze 2,2-di(cyclopenta-2,4-dien-1-yl)ethanol;zirconium with MolForge

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

Launch Full Analysis

Related Compounds

2,2-di(cyclopenta-2,4-dien-1-yl)ethanol;zirconium(3+);trichloride
CID 157325487
2-cyclohepta-2,4,6-trien-1-yl-3-hydroxypropanal
CID 142179134
2,2-di(cyclopenta-2,4-dien-1-yl)-N-ethylethanamine
CID 160849656
1,1-di(cyclopenta-2,4-dien-1-yl)propan-2-ylidenemolybdenum
CID 151708512
cyclopenta-2,4-dien-1-yl(trimethylgermyl)methanol
CID 154421389
2-(2,3,3a,7a-tetrahydrobenzimidazol-1-yl)ethanol
CID 21479137
6-(1-hydroxypropan-2-yl)cyclohexa-2,4-dien-1-one
CID 140982379
(3S)-1,3-di(cyclopenta-2,4-dien-1-yl)butan-1-one
CID 15436813
butane-1,2,3,4-tetrol;phosphorous acid
CID 139511321
5-(4-cyclopenta-2,4-dien-1-ylbutan-2-yl)cyclopenta-1,3-diene
CID 12685415
5,6-diethylcyclohexa-1,3-diene
CID 556515
(6-fluorocyclohexa-2,4-dien-1-yl)methanol
CID 123160628

Frequently Asked Questions

What is the IUPAC name of 2,2-di(cyclopenta-2,4-dien-1-yl)ethanol;zirconium?
The IUPAC name of 2,2-di(cyclopenta-2,4-dien-1-yl)ethanol;zirconium (CID 154416903) is 2,2-di(cyclopenta-2,4-dien-1-yl)ethanol;zirconium.
What is the SMILES notation for 2,2-di(cyclopenta-2,4-dien-1-yl)ethanol;zirconium?
The canonical SMILES for 2,2-di(cyclopenta-2,4-dien-1-yl)ethanol;zirconium is OCC(C1C=CC=C1)C1C=CC=C1.[Zr].
What is the InChIKey of 2,2-di(cyclopenta-2,4-dien-1-yl)ethanol;zirconium?
The InChIKey is GBLUXMRTTOFBGZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H14O.Zr/c13-9-12(10-5-1-2-6-10)11-7-3-4-8-11;/h1-8,10-13H,9H2;.
What are the key properties of 2,2-di(cyclopenta-2,4-dien-1-yl)ethanol;zirconium?
2,2-di(cyclopenta-2,4-dien-1-yl)ethanol;zirconium has a molecular weight of 265.47 g/mol, XLogP of 2.08, 3 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2,2-di(cyclopenta-2,4-dien-1-yl)ethanol;zirconium is sourced from PubChem (CID 154416903), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).