2-(1,2,3,4,5-pentamethylcyclopenta-2,4-dien-1-yl)ethanol;zirconium

C12H20OZr — CID 174358294

IUPAC2-(1,2,3,4,5-pentamethylcyclopenta-2,4-dien-1-yl)ethanol;zirconium
SMILESCC1=C(C)C(C)(CCO)C(C)=C1C.[Zr]
InChIInChI=1S/C12H20O.Zr/c1-8-9(2)11(4)12(5,6-7-13)10(8)3;/h13H,6-7H2,1-5H3;
InChIKeyNLRBJKCUUFOVQS-UHFFFAOYSA-N
MW271.51 g/mol
LogP3.06
Rot. Bonds2

About 2-(1,2,3,4,5-pentamethylcyclopenta-2,4-dien-1-yl)ethanol;zirconium

2-(1,2,3,4,5-pentamethylcyclopenta-2,4-dien-1-yl)ethanol;zirconium (PubChem CID 174358294) has the molecular formula C12H20OZr and a molecular weight of 271.51 g/mol. Its IUPAC name is 2-(1,2,3,4,5-pentamethylcyclopenta-2,4-dien-1-yl)ethanol;zirconium.

Molecular Properties

Compound Name2-(1,2,3,4,5-pentamethylcyclopenta-2,4-dien-1-yl)ethanol;zirconium
PubChem CID174358294
Molecular FormulaC12H20OZr
Molecular Weight271.51 g/mol
Exact Mass270.06
IUPAC Name2-(1,2,3,4,5-pentamethylcyclopenta-2,4-dien-1-yl)ethanol;zirconium
SMILESCC1=C(C)C(C)(CCO)C(C)=C1C.[Zr]
InChIInChI=1S/C12H20O.Zr/c1-8-9(2)11(4)12(5,6-7-13)10(8)3;/h13H,6-7H2,1-5H3;
InChIKeyNLRBJKCUUFOVQS-UHFFFAOYSA-N
XLogP3.06
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500271.51
LogP ≤ 53.06
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 2-(1,2,3,4,5-pentamethylcyclopenta-2,4-dien-1-yl)ethanol;zirconium?
The IUPAC name of 2-(1,2,3,4,5-pentamethylcyclopenta-2,4-dien-1-yl)ethanol;zirconium (CID 174358294) is 2-(1,2,3,4,5-pentamethylcyclopenta-2,4-dien-1-yl)ethanol;zirconium.
What is the SMILES notation for 2-(1,2,3,4,5-pentamethylcyclopenta-2,4-dien-1-yl)ethanol;zirconium?
The canonical SMILES for 2-(1,2,3,4,5-pentamethylcyclopenta-2,4-dien-1-yl)ethanol;zirconium is CC1=C(C)C(C)(CCO)C(C)=C1C.[Zr].
What is the InChIKey of 2-(1,2,3,4,5-pentamethylcyclopenta-2,4-dien-1-yl)ethanol;zirconium?
The InChIKey is NLRBJKCUUFOVQS-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H20O.Zr/c1-8-9(2)11(4)12(5,6-7-13)10(8)3;/h13H,6-7H2,1-5H3;.
What are the key properties of 2-(1,2,3,4,5-pentamethylcyclopenta-2,4-dien-1-yl)ethanol;zirconium?
2-(1,2,3,4,5-pentamethylcyclopenta-2,4-dien-1-yl)ethanol;zirconium has a molecular weight of 271.51 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 2-(1,2,3,4,5-pentamethylcyclopenta-2,4-dien-1-yl)ethanol;zirconium is sourced from PubChem (CID 174358294), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).