2,4-dicyclohexylpentan-3-ylidenezirconium(2+)

C17H30Zr+2 — CID 23078765

IUPAC2,4-dicyclohexylpentan-3-ylidenezirconium(2+)
SMILESCC(C(=[Zr+2])C(C)C1CCCCC1)C1CCCCC1
InChIInChI=1S/C17H30.Zr/c1-14(16-9-5-3-6-10-16)13-15(2)17-11-7-4-8-12-17;/h14-17H,3-12H2,1-2H3;/q;+2
InChIKeyAQYGSQSPBGMMDB-UHFFFAOYSA-N
MW325.65 g/mol
LogP5.14
Rot. Bonds4

About 2,4-dicyclohexylpentan-3-ylidenezirconium(2+)

2,4-dicyclohexylpentan-3-ylidenezirconium(2+) (PubChem CID 23078765) has the molecular formula C17H30Zr+2 and a molecular weight of 325.65 g/mol. Its IUPAC name is 2,4-dicyclohexylpentan-3-ylidenezirconium(2+).

Molecular Properties

Compound Name2,4-dicyclohexylpentan-3-ylidenezirconium(2+)
PubChem CID23078765
Molecular FormulaC17H30Zr+2
Molecular Weight325.65 g/mol
Exact Mass324.14
IUPAC Name2,4-dicyclohexylpentan-3-ylidenezirconium(2+)
SMILESCC(C(=[Zr+2])C(C)C1CCCCC1)C1CCCCC1
InChIInChI=1S/C17H30.Zr/c1-14(16-9-5-3-6-10-16)13-15(2)17-11-7-4-8-12-17;/h14-17H,3-12H2,1-2H3;/q;+2
InChIKeyAQYGSQSPBGMMDB-UHFFFAOYSA-N
XLogP5.14
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500325.65
LogP ≤ 55.14
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

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Related Compounds

2-cyclohexylpropanoyl 2-cyclohexylpropanoate
CID 88630041
2-cyclohexyl-4-methylpentan-3-one
CID 14086898
2-cyclohexylpropanoyl chloride
CID 3016042
1-cyclohexyl-1-propan-2-yloxypropan-2-ol
CID 67782427
3-cyclohexyl-2-oxobutanoic acid
CID 13391916
2,3-bis(1-cyclohexylethyl)but-2-enedioic acid
CID 67547723
methane;propan-2-ylcyclotetradecane
CID 159882779
1-cyclopentylethylcyclohexane
CID 57034702
lithium;2-cyclohexylpropanamide;hydride
CID 173193796
3-cyclododecylbutan-2-ol
CID 10444334
1-cycloheptylpropane-1,2-diol
CID 103452573
1-methoxyethylcyclooctane
CID 58445596

Frequently Asked Questions

What is the IUPAC name of 2,4-dicyclohexylpentan-3-ylidenezirconium(2+)?
The IUPAC name of 2,4-dicyclohexylpentan-3-ylidenezirconium(2+) (CID 23078765) is 2,4-dicyclohexylpentan-3-ylidenezirconium(2+).
What is the SMILES notation for 2,4-dicyclohexylpentan-3-ylidenezirconium(2+)?
The canonical SMILES for 2,4-dicyclohexylpentan-3-ylidenezirconium(2+) is CC(C(=[Zr+2])C(C)C1CCCCC1)C1CCCCC1.
What is the InChIKey of 2,4-dicyclohexylpentan-3-ylidenezirconium(2+)?
The InChIKey is AQYGSQSPBGMMDB-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H30.Zr/c1-14(16-9-5-3-6-10-16)13-15(2)17-11-7-4-8-12-17;/h14-17H,3-12H2,1-2H3;/q;+2.
What are the key properties of 2,4-dicyclohexylpentan-3-ylidenezirconium(2+)?
2,4-dicyclohexylpentan-3-ylidenezirconium(2+) has a molecular weight of 325.65 g/mol, XLogP of 5.14, 4 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 2,4-dicyclohexylpentan-3-ylidenezirconium(2+) is sourced from PubChem (CID 23078765), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).