1-(1-adamantyl)ethylidenezirconium(2+)

C12H18Zr+2 — CID 87775004

IUPAC1-(1-adamantyl)ethylidenezirconium(2+)
SMILESCC(=[Zr+2])C12CC3CC(CC(C3)C1)C2
InChIInChI=1S/C12H18.Zr/c1-2-12-6-9-3-10(7-12)5-11(4-9)8-12;/h9-11H,3-8H2,1H3;/q;+2
InChIKeySAYOGNGKXSCMEU-UHFFFAOYSA-N
MW253.50 g/mol
LogP2.94
Rot. Bonds1

About 1-(1-adamantyl)ethylidenezirconium(2+)

1-(1-adamantyl)ethylidenezirconium(2+) (PubChem CID 87775004) has the molecular formula C12H18Zr+2 and a molecular weight of 253.50 g/mol. Its IUPAC name is 1-(1-adamantyl)ethylidenezirconium(2+).

Molecular Properties

Compound Name1-(1-adamantyl)ethylidenezirconium(2+)
PubChem CID87775004
Molecular FormulaC12H18Zr+2
Molecular Weight253.50 g/mol
Exact Mass252.04
IUPAC Name1-(1-adamantyl)ethylidenezirconium(2+)
SMILESCC(=[Zr+2])C12CC3CC(CC(C3)C1)C2
InChIInChI=1S/C12H18.Zr/c1-2-12-6-9-3-10(7-12)5-11(4-9)8-12;/h9-11H,3-8H2,1H3;/q;+2
InChIKeySAYOGNGKXSCMEU-UHFFFAOYSA-N
XLogP2.94
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 ≤ 52.94
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

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Related Compounds

acetic acid;adamantane-1-carboxylic acid
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1-[1-[1-(1-adamantyl)-2-methylprop-1-enoxy]-2-methylprop-1-enyl]adamantane
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1-(1-adamantyl)-2-methylprop-2-en-1-one
CID 67607526
bis(1-adamantyl)methanimine
CID 87876115
1-[1-(1-adamantyl)ethenyl]adamantane
CID 14316817
1-(1-adamantyl)-1-(hydroxyamino)prop-1-en-2-ol
CID 5080913
1-adamantyl(methylsulfinyl)methanone
CID 88597995
1-adamantyl(ethylsulfinyl)methanethione
CID 102452533
3-acetyl-1-(1-adamantyl)pentane-1,4-dione
CID 15890051
1-adamantyl-[2,3-bis(adamantane-1-carbonyl)cyclopropyl]methanone
CID 10929489
adamantane-1-carboxylic acid;cobalt
CID 174948331

Frequently Asked Questions

What is the IUPAC name of 1-(1-adamantyl)ethylidenezirconium(2+)?
The IUPAC name of 1-(1-adamantyl)ethylidenezirconium(2+) (CID 87775004) is 1-(1-adamantyl)ethylidenezirconium(2+).
What is the SMILES notation for 1-(1-adamantyl)ethylidenezirconium(2+)?
The canonical SMILES for 1-(1-adamantyl)ethylidenezirconium(2+) is CC(=[Zr+2])C12CC3CC(CC(C3)C1)C2.
What is the InChIKey of 1-(1-adamantyl)ethylidenezirconium(2+)?
The InChIKey is SAYOGNGKXSCMEU-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H18.Zr/c1-2-12-6-9-3-10(7-12)5-11(4-9)8-12;/h9-11H,3-8H2,1H3;/q;+2.
What are the key properties of 1-(1-adamantyl)ethylidenezirconium(2+)?
1-(1-adamantyl)ethylidenezirconium(2+) has a molecular weight of 253.50 g/mol, XLogP of 2.94, 1 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(1-adamantyl)ethylidenezirconium(2+) is sourced from PubChem (CID 87775004), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).