carbanide;2-(1-cyclopentylbutyl)-1,3-dimethylcyclopentane;dichlorotitanium

C18H36Cl2Ti-2 — CID 162290032

IUPACcarbanide;2-(1-cyclopentylbutyl)-1,3-dimethylcyclopentane;dichlorotitanium
SMILESCCCC(C1CCCC1)C1C(C)CCC1C.Cl[Ti]Cl.[CH3-].[CH3-]
InChIInChI=1S/C16H30.2CH3.2ClH.Ti/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;;;+2/p-2
InChIKeyDDKBKLMULHJUOK-UHFFFAOYSA-L
MW371.26 g/mol
LogP7.55
Rot. Bonds4

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

carbanide;2-(1-cyclopentylbutyl)-1,3-dimethylcyclopentane;dichlorotitanium (PubChem CID 162290032) has the molecular formula C18H36Cl2Ti-2 and a molecular weight of 371.26 g/mol. Its IUPAC name is carbanide;2-(1-cyclopentylbutyl)-1,3-dimethylcyclopentane;dichlorotitanium.

Molecular Properties

Compound Namecarbanide;2-(1-cyclopentylbutyl)-1,3-dimethylcyclopentane;dichlorotitanium
PubChem CID162290032
Molecular FormulaC18H36Cl2Ti-2
Molecular Weight371.26 g/mol
Exact Mass370.17
IUPAC Namecarbanide;2-(1-cyclopentylbutyl)-1,3-dimethylcyclopentane;dichlorotitanium
SMILESCCCC(C1CCCC1)C1C(C)CCC1C.Cl[Ti]Cl.[CH3-].[CH3-]
InChIInChI=1S/C16H30.2CH3.2ClH.Ti/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;;;+2/p-2
InChIKeyDDKBKLMULHJUOK-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 ≤ 500371.26
LogP ≤ 57.55
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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Related Compounds

carbanide;2-(1-cyclopentylbutyl)-1,3-dimethylcyclopentane;dichlorozirconium(2+)
CID 162290034
2-(1-cyclopropylheptyl)-1,3-dimethylcyclobutane
CID 123861215
1-(2,6-dimethylcyclohexyl)-N-methylbutan-1-amine
CID 83047113
2-(1-cyclobutylbutyl)cyclopropan-1-amine
CID 126707140
1-cyclopropylpentylcycloheptane
CID 91177068
[(2R)-3-methylhexan-2-yl]cyclopentane
CID 163746154
1-cyclohexylheptylcyclohexane
CID 16404
1-cycloheptyldecylcycloheptane
CID 20559033
1-(2,6-dimethylcyclohexyl)butan-1-ol
CID 83051760
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;dichlorotitanium?
The IUPAC name of carbanide;2-(1-cyclopentylbutyl)-1,3-dimethylcyclopentane;dichlorotitanium (CID 162290032) is carbanide;2-(1-cyclopentylbutyl)-1,3-dimethylcyclopentane;dichlorotitanium.
What is the SMILES notation for carbanide;2-(1-cyclopentylbutyl)-1,3-dimethylcyclopentane;dichlorotitanium?
The canonical SMILES for carbanide;2-(1-cyclopentylbutyl)-1,3-dimethylcyclopentane;dichlorotitanium is CCCC(C1CCCC1)C1C(C)CCC1C.Cl[Ti]Cl.[CH3-].[CH3-].
What is the InChIKey of carbanide;2-(1-cyclopentylbutyl)-1,3-dimethylcyclopentane;dichlorotitanium?
The InChIKey is DDKBKLMULHJUOK-UHFFFAOYSA-L. The full InChI is InChI=1S/C16H30.2CH3.2ClH.Ti/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;;;+2/p-2.
What are the key properties of carbanide;2-(1-cyclopentylbutyl)-1,3-dimethylcyclopentane;dichlorotitanium?
carbanide;2-(1-cyclopentylbutyl)-1,3-dimethylcyclopentane;dichlorotitanium has a molecular weight of 371.26 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;dichlorotitanium is sourced from PubChem (CID 162290032), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).