carbanide;2-(1-cyclopentylbutyl)-1,3-dimethylcyclopentane;dichlorozirconium(2+)

C18H36Cl2Zr — CID 162290034

IUPACcarbanide;2-(1-cyclopentylbutyl)-1,3-dimethylcyclopentane;dichlorozirconium(2+)
SMILESCCCC(C1CCCC1)C1C(C)CCC1C.Cl[Zr+2]Cl.[CH3-].[CH3-]
InChIInChI=1S/C16H30.2CH3.2ClH.Zr/c1-4-7-15(14-8-5-6-9-14)16-12(2)10-11-13(16)3;;;;;/h12-16H,4-11H2,1-3H3;2*1H3;2*1H;/q;2*-1;;;+4/p-2
InChIKeyFYHGWOGBRLLUDB-UHFFFAOYSA-L
MW414.62 g/mol
LogP7.55
Rot. Bonds4

About carbanide;2-(1-cyclopentylbutyl)-1,3-dimethylcyclopentane;dichlorozirconium(2+)

carbanide;2-(1-cyclopentylbutyl)-1,3-dimethylcyclopentane;dichlorozirconium(2+) (PubChem CID 162290034) has the molecular formula C18H36Cl2Zr and a molecular weight of 414.62 g/mol. Its IUPAC name is carbanide;2-(1-cyclopentylbutyl)-1,3-dimethylcyclopentane;dichlorozirconium(2+).

Molecular Properties

Compound Namecarbanide;2-(1-cyclopentylbutyl)-1,3-dimethylcyclopentane;dichlorozirconium(2+)
PubChem CID162290034
Molecular FormulaC18H36Cl2Zr
Molecular Weight414.62 g/mol
Exact Mass412.12
IUPAC Namecarbanide;2-(1-cyclopentylbutyl)-1,3-dimethylcyclopentane;dichlorozirconium(2+)
SMILESCCCC(C1CCCC1)C1C(C)CCC1C.Cl[Zr+2]Cl.[CH3-].[CH3-]
InChIInChI=1S/C16H30.2CH3.2ClH.Zr/c1-4-7-15(14-8-5-6-9-14)16-12(2)10-11-13(16)3;;;;;/h12-16H,4-11H2,1-3H3;2*1H3;2*1H;/q;2*-1;;;+4/p-2
InChIKeyFYHGWOGBRLLUDB-UHFFFAOYSA-L
XLogP7.55
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500414.62
LogP ≤ 57.55
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

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

Analyze carbanide;2-(1-cyclopentylbutyl)-1,3-dimethylcyclopentane;dichlorozirconium(2+) 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

carbanide;2-(1-cyclopentylbutyl)-1,3-dimethylcyclopentane;dichlorotitanium
CID 162290032
2-(1-cyclopropylheptyl)-1,3-dimethylcyclobutane
CID 123861215
2-(1-cyclobutylbutyl)cyclopropan-1-amine
CID 126707140
1-(2,6-dimethylcyclohexyl)-N-methylbutan-1-amine
CID 83047113
1-cyclopropylpentylcycloheptane
CID 91177068
[(2R)-3-methylhexan-2-yl]cyclopentane
CID 163746154
1-cyclohexylheptylcyclohexane
CID 16404
1-(2,6-dimethylcyclohexyl)butan-1-ol
CID 83051760
1-cycloheptyldecylcycloheptane
CID 20559033
2-hexan-3-yl-1,3,4-trimethylcyclohexane
CID 123632457
butane;pentan-2-ylcyclohexane
CID 143682251
ethane;pentan-2-ylcyclohexane
CID 143225886

Frequently Asked Questions

What is the IUPAC name of carbanide;2-(1-cyclopentylbutyl)-1,3-dimethylcyclopentane;dichlorozirconium(2+)?
The IUPAC name of carbanide;2-(1-cyclopentylbutyl)-1,3-dimethylcyclopentane;dichlorozirconium(2+) (CID 162290034) is carbanide;2-(1-cyclopentylbutyl)-1,3-dimethylcyclopentane;dichlorozirconium(2+).
What is the SMILES notation for carbanide;2-(1-cyclopentylbutyl)-1,3-dimethylcyclopentane;dichlorozirconium(2+)?
The canonical SMILES for carbanide;2-(1-cyclopentylbutyl)-1,3-dimethylcyclopentane;dichlorozirconium(2+) is CCCC(C1CCCC1)C1C(C)CCC1C.Cl[Zr+2]Cl.[CH3-].[CH3-].
What is the InChIKey of carbanide;2-(1-cyclopentylbutyl)-1,3-dimethylcyclopentane;dichlorozirconium(2+)?
The InChIKey is FYHGWOGBRLLUDB-UHFFFAOYSA-L. The full InChI is InChI=1S/C16H30.2CH3.2ClH.Zr/c1-4-7-15(14-8-5-6-9-14)16-12(2)10-11-13(16)3;;;;;/h12-16H,4-11H2,1-3H3;2*1H3;2*1H;/q;2*-1;;;+4/p-2.
What are the key properties of carbanide;2-(1-cyclopentylbutyl)-1,3-dimethylcyclopentane;dichlorozirconium(2+)?
carbanide;2-(1-cyclopentylbutyl)-1,3-dimethylcyclopentane;dichlorozirconium(2+) has a molecular weight of 414.62 g/mol, XLogP of 7.55, 4 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for carbanide;2-(1-cyclopentylbutyl)-1,3-dimethylcyclopentane;dichlorozirconium(2+) is sourced from PubChem (CID 162290034), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).