2,3-diethylcyclopenta-1,3-diene;titanium;dihydrochloride

C9H15Cl2Ti- — CID 174634216

IUPAC2,3-diethylcyclopenta-1,3-diene;titanium;dihydrochloride
SMILESCCC1=[C-]CC=C1CC.Cl.Cl.[Ti]
InChIInChI=1S/C9H13.2ClH.Ti/c1-3-8-6-5-7-9(8)4-2;;;/h6H,3-5H2,1-2H3;2*1H;/q-1;;;
InChIKeyMANVULVRMQHRLY-UHFFFAOYSA-N
MW241.99 g/mol
LogP3.71
Rot. Bonds2

About 2,3-diethylcyclopenta-1,3-diene;titanium;dihydrochloride

2,3-diethylcyclopenta-1,3-diene;titanium;dihydrochloride (PubChem CID 174634216) has the molecular formula C9H15Cl2Ti- and a molecular weight of 241.99 g/mol. Its IUPAC name is 2,3-diethylcyclopenta-1,3-diene;titanium;dihydrochloride.

Molecular Properties

Compound Name2,3-diethylcyclopenta-1,3-diene;titanium;dihydrochloride
PubChem CID174634216
Molecular FormulaC9H15Cl2Ti-
Molecular Weight241.99 g/mol
Exact Mass241.00
IUPAC Name2,3-diethylcyclopenta-1,3-diene;titanium;dihydrochloride
SMILESCCC1=[C-]CC=C1CC.Cl.Cl.[Ti]
InChIInChI=1S/C9H13.2ClH.Ti/c1-3-8-6-5-7-9(8)4-2;;;/h6H,3-5H2,1-2H3;2*1H;/q-1;;;
InChIKeyMANVULVRMQHRLY-UHFFFAOYSA-N
XLogP3.71
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds2
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500241.99
LogP ≤ 53.71
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

bis(2-ethyl-3-methylcyclopenta-1,3-diene);zirconium(2+);dihydrochloride
CID 87674700
dimethylsilylidenetitanium(2+);bis(2-ethyl-3-methylcyclopenta-1,3-diene);dichloride
CID 87101317
bis(2-ethyl-3-methylcyclopenta-1,3-diene);propan-2-ylidenetitanium(2+);dichloride
CID 22347936
(5-ethylcyclopenta-1,4-dien-1-yl)-tris(3-methylphenyl)silane;titanium;trihydrochloride
CID 173474728
2,3-bis(2-methylpropyl)cyclopenta-1,3-diene;ruthenium(1+)
CID 173066298
hafnium;bis(2-methyl-3-propylcyclopenta-1,3-diene)
CID 173082217
tert-butylbenzene;(5-ethylcyclopenta-1,4-dien-1-yl)silane;titanium(2+);trihydrochloride
CID 173474551
2-ethylcyclopenta-1,3-diene;titanium;trihydrochloride
CID 173474544
sodium 2-octadecyl-3-prop-2-enylcyclopenta-1,3-diene
CID 174711074
bis(2-butyl-3-methylcyclopenta-1,3-diene);zirconium(2+)
CID 18003155
3-ethyl-1-[2-(3-ethyl-2-methylcyclopenta-1,3-dien-1-yl)ethyl]-2-methylcyclopenta-1,3-diene
CID 22347909
butyl-(5-ethylcyclopenta-1,4-dien-1-yl)-methyl-(2,4,6-trimethylphenyl)silane;titanium(4+);trichloride
CID 173384538

Frequently Asked Questions

What is the IUPAC name of 2,3-diethylcyclopenta-1,3-diene;titanium;dihydrochloride?
The IUPAC name of 2,3-diethylcyclopenta-1,3-diene;titanium;dihydrochloride (CID 174634216) is 2,3-diethylcyclopenta-1,3-diene;titanium;dihydrochloride.
What is the SMILES notation for 2,3-diethylcyclopenta-1,3-diene;titanium;dihydrochloride?
The canonical SMILES for 2,3-diethylcyclopenta-1,3-diene;titanium;dihydrochloride is CCC1=[C-]CC=C1CC.Cl.Cl.[Ti].
What is the InChIKey of 2,3-diethylcyclopenta-1,3-diene;titanium;dihydrochloride?
The InChIKey is MANVULVRMQHRLY-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H13.2ClH.Ti/c1-3-8-6-5-7-9(8)4-2;;;/h6H,3-5H2,1-2H3;2*1H;/q-1;;;.
What are the key properties of 2,3-diethylcyclopenta-1,3-diene;titanium;dihydrochloride?
2,3-diethylcyclopenta-1,3-diene;titanium;dihydrochloride has a molecular weight of 241.99 g/mol, XLogP of 3.71, 2 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 2,3-diethylcyclopenta-1,3-diene;titanium;dihydrochloride is sourced from PubChem (CID 174634216), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).