carbanide;cyclopentane;1,1-dimethylcyclohexane;zirconium(2+)

C15H32Zr — CID 162284828

IUPACcarbanide;cyclopentane;1,1-dimethylcyclohexane;zirconium(2+)
SMILESC1CCCC1.CC1(C)CCCCC1.[CH3-].[CH3-].[Zr+2]
InChIInChI=1S/C8H16.C5H10.2CH3.Zr/c1-8(2)6-4-3-5-7-8;1-2-4-5-3-1;;;/h3-7H2,1-2H3;1-5H2;2*1H3;/q;;2*-1;+2
InChIKeyJKLCLDRBYSYVGV-UHFFFAOYSA-N
MW303.65 g/mol
LogP5.83
Rot. Bonds

About carbanide;cyclopentane;1,1-dimethylcyclohexane;zirconium(2+)

carbanide;cyclopentane;1,1-dimethylcyclohexane;zirconium(2+) (PubChem CID 162284828) has the molecular formula C15H32Zr and a molecular weight of 303.65 g/mol. Its IUPAC name is carbanide;cyclopentane;1,1-dimethylcyclohexane;zirconium(2+).

Molecular Properties

Compound Namecarbanide;cyclopentane;1,1-dimethylcyclohexane;zirconium(2+)
PubChem CID162284828
Molecular FormulaC15H32Zr
Molecular Weight303.65 g/mol
Exact Mass302.16
IUPAC Namecarbanide;cyclopentane;1,1-dimethylcyclohexane;zirconium(2+)
SMILESC1CCCC1.CC1(C)CCCCC1.[CH3-].[CH3-].[Zr+2]
InChIInChI=1S/C8H16.C5H10.2CH3.Zr/c1-8(2)6-4-3-5-7-8;1-2-4-5-3-1;;;/h3-7H2,1-2H3;1-5H2;2*1H3;/q;;2*-1;+2
InChIKeyJKLCLDRBYSYVGV-UHFFFAOYSA-N
XLogP5.83
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds
Heavy Atoms16
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500303.65
LogP ≤ 55.83
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of carbanide;cyclopentane;1,1-dimethylcyclohexane;zirconium(2+)?
The IUPAC name of carbanide;cyclopentane;1,1-dimethylcyclohexane;zirconium(2+) (CID 162284828) is carbanide;cyclopentane;1,1-dimethylcyclohexane;zirconium(2+).
What is the SMILES notation for carbanide;cyclopentane;1,1-dimethylcyclohexane;zirconium(2+)?
The canonical SMILES for carbanide;cyclopentane;1,1-dimethylcyclohexane;zirconium(2+) is C1CCCC1.CC1(C)CCCCC1.[CH3-].[CH3-].[Zr+2].
What is the InChIKey of carbanide;cyclopentane;1,1-dimethylcyclohexane;zirconium(2+)?
The InChIKey is JKLCLDRBYSYVGV-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H16.C5H10.2CH3.Zr/c1-8(2)6-4-3-5-7-8;1-2-4-5-3-1;;;/h3-7H2,1-2H3;1-5H2;2*1H3;/q;;2*-1;+2.
What are the key properties of carbanide;cyclopentane;1,1-dimethylcyclohexane;zirconium(2+)?
carbanide;cyclopentane;1,1-dimethylcyclohexane;zirconium(2+) has a molecular weight of 303.65 g/mol, XLogP of 5.83, 0 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for carbanide;cyclopentane;1,1-dimethylcyclohexane;zirconium(2+) is sourced from PubChem (CID 162284828), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).