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

C9H15Br2Ti- — CID 174700866

IUPAC2-(2-methylpropyl)cyclopenta-1,3-diene;titanium;dihydrobromide
SMILESBr.Br.CC(C)CC1=[C-]CC=C1.[Ti]
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;;;
InChIKeyFVFUUNUNNDTNAQ-UHFFFAOYSA-N
MW330.89 g/mol
LogP3.88
Rot. Bonds2

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

2-(2-methylpropyl)cyclopenta-1,3-diene;titanium;dihydrobromide (PubChem CID 174700866) has the molecular formula C9H15Br2Ti- and a molecular weight of 330.89 g/mol. Its IUPAC name is 2-(2-methylpropyl)cyclopenta-1,3-diene;titanium;dihydrobromide.

Molecular Properties

Compound Name2-(2-methylpropyl)cyclopenta-1,3-diene;titanium;dihydrobromide
PubChem CID174700866
Molecular FormulaC9H15Br2Ti-
Molecular Weight330.89 g/mol
Exact Mass328.90
IUPAC Name2-(2-methylpropyl)cyclopenta-1,3-diene;titanium;dihydrobromide
SMILESBr.Br.CC(C)CC1=[C-]CC=C1.[Ti]
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;;;
InChIKeyFVFUUNUNNDTNAQ-UHFFFAOYSA-N
XLogP3.88
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds2
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500330.89
LogP ≤ 53.88
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 2-(2-methylpropyl)cyclopenta-1,3-diene;titanium;dihydrobromide?
The IUPAC name of 2-(2-methylpropyl)cyclopenta-1,3-diene;titanium;dihydrobromide (CID 174700866) is 2-(2-methylpropyl)cyclopenta-1,3-diene;titanium;dihydrobromide.
What is the SMILES notation for 2-(2-methylpropyl)cyclopenta-1,3-diene;titanium;dihydrobromide?
The canonical SMILES for 2-(2-methylpropyl)cyclopenta-1,3-diene;titanium;dihydrobromide is Br.Br.CC(C)CC1=[C-]CC=C1.[Ti].
What is the InChIKey of 2-(2-methylpropyl)cyclopenta-1,3-diene;titanium;dihydrobromide?
The InChIKey is FVFUUNUNNDTNAQ-UHFFFAOYSA-N. 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;;;.
What are the key properties of 2-(2-methylpropyl)cyclopenta-1,3-diene;titanium;dihydrobromide?
2-(2-methylpropyl)cyclopenta-1,3-diene;titanium;dihydrobromide has a molecular weight of 330.89 g/mol, XLogP of 3.88, 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;dihydrobromide is sourced from PubChem (CID 174700866), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).