2-(2-methylpropyl)cyclopenta-1,3-diene;titanium(3+);dibromide

C9H13Br2Ti — CID 174700864

IUPAC2-(2-methylpropyl)cyclopenta-1,3-diene;titanium(3+);dibromide
SMILESCC(C)CC1=[C-]CC=C1.[Br-].[Br-].[Ti+3]
InChIInChI=1S/C9H13.2BrH.Ti/c1-8(2)7-9-5-3-4-6-9;;;/h3,5,8H,4,7H2,1-2H3;2*1H;/q-1;;;+3/p-2
InChIKeyCTDVHEILZXDRSY-UHFFFAOYSA-L
MW328.88 g/mol
LogP-3.27
Rot. Bonds2

About 2-(2-methylpropyl)cyclopenta-1,3-diene;titanium(3+);dibromide

2-(2-methylpropyl)cyclopenta-1,3-diene;titanium(3+);dibromide (PubChem CID 174700864) has the molecular formula C9H13Br2Ti and a molecular weight of 328.88 g/mol. Its IUPAC name is 2-(2-methylpropyl)cyclopenta-1,3-diene;titanium(3+);dibromide.

Molecular Properties

Compound Name2-(2-methylpropyl)cyclopenta-1,3-diene;titanium(3+);dibromide
PubChem CID174700864
Molecular FormulaC9H13Br2Ti
Molecular Weight328.88 g/mol
Exact Mass326.89
IUPAC Name2-(2-methylpropyl)cyclopenta-1,3-diene;titanium(3+);dibromide
SMILESCC(C)CC1=[C-]CC=C1.[Br-].[Br-].[Ti+3]
InChIInChI=1S/C9H13.2BrH.Ti/c1-8(2)7-9-5-3-4-6-9;;;/h3,5,8H,4,7H2,1-2H3;2*1H;/q-1;;;+3/p-2
InChIKeyCTDVHEILZXDRSY-UHFFFAOYSA-L
XLogP-3.27
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds2
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500328.88
LogP ≤ 5-3.27
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

hafnium;2-(2-methylpropyl)cyclopenta-1,3-diene
CID 174617018
2-(2-methylpropyl)cyclopenta-1,3-diene;titanium;dihydrobromide
CID 174700866
2-(2-methylpropyl)cyclopenta-1,3-diene;zirconium;hydrochloride
CID 174759032
2-(2-methylpropyl)cyclopenta-1,3-diene;titanium;hydrochloride
CID 174945783
bis(2-(2-methylpropyl)cyclopenta-1,3-diene);zirconium(2+);dihydrochloride
CID 87195853
butane;bis(2-(2-methylpropyl)cyclopenta-1,3-diene);zirconium(2+)
CID 173239906
(2-cyclopenta-1,4-dien-1-yl-1-propan-2-yloxyethyl)benzene;titanium(3+);dichloride
CID 87977857
bis(2-ethylcyclopenta-1,3-diene);ruthenium(2+)
CID 22138507
2-ethylcyclopenta-1,3-diene;hafnium
CID 173317623
2-ethylcyclopenta-1,3-diene;zinc
CID 173012592
2-ethylcyclopenta-1,3-diene;iridium
CID 173125355
bis(2-ethylcyclopenta-1,3-diene);hafnium(4+);dichloride
CID 73411812

Frequently Asked Questions

What is the IUPAC name of 2-(2-methylpropyl)cyclopenta-1,3-diene;titanium(3+);dibromide?
The IUPAC name of 2-(2-methylpropyl)cyclopenta-1,3-diene;titanium(3+);dibromide (CID 174700864) is 2-(2-methylpropyl)cyclopenta-1,3-diene;titanium(3+);dibromide.
What is the SMILES notation for 2-(2-methylpropyl)cyclopenta-1,3-diene;titanium(3+);dibromide?
The canonical SMILES for 2-(2-methylpropyl)cyclopenta-1,3-diene;titanium(3+);dibromide is CC(C)CC1=[C-]CC=C1.[Br-].[Br-].[Ti+3].
What is the InChIKey of 2-(2-methylpropyl)cyclopenta-1,3-diene;titanium(3+);dibromide?
The InChIKey is CTDVHEILZXDRSY-UHFFFAOYSA-L. The full InChI is InChI=1S/C9H13.2BrH.Ti/c1-8(2)7-9-5-3-4-6-9;;;/h3,5,8H,4,7H2,1-2H3;2*1H;/q-1;;;+3/p-2.
What are the key properties of 2-(2-methylpropyl)cyclopenta-1,3-diene;titanium(3+);dibromide?
2-(2-methylpropyl)cyclopenta-1,3-diene;titanium(3+);dibromide has a molecular weight of 328.88 g/mol, XLogP of -3.27, 2 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-methylpropyl)cyclopenta-1,3-diene;titanium(3+);dibromide is sourced from PubChem (CID 174700864), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).