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

C9H14ClTi- — CID 174945783

IUPAC2-(2-methylpropyl)cyclopenta-1,3-diene;titanium;hydrochloride
SMILESCC(C)CC1=[C-]CC=C1.Cl.[Ti]
InChIInChI=1S/C9H13.ClH.Ti/c1-8(2)7-9-5-3-4-6-9;;/h3,5,8H,4,7H2,1-2H3;1H;/q-1;;
InChIKeyNAVRYBNVNBKOHT-UHFFFAOYSA-N
MW205.53 g/mol
LogP3.14
Rot. Bonds2

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

2-(2-methylpropyl)cyclopenta-1,3-diene;titanium;hydrochloride (PubChem CID 174945783) has the molecular formula C9H14ClTi- and a molecular weight of 205.53 g/mol. Its IUPAC name is 2-(2-methylpropyl)cyclopenta-1,3-diene;titanium;hydrochloride.

Molecular Properties

Compound Name2-(2-methylpropyl)cyclopenta-1,3-diene;titanium;hydrochloride
PubChem CID174945783
Molecular FormulaC9H14ClTi-
Molecular Weight205.53 g/mol
Exact Mass205.03
IUPAC Name2-(2-methylpropyl)cyclopenta-1,3-diene;titanium;hydrochloride
SMILESCC(C)CC1=[C-]CC=C1.Cl.[Ti]
InChIInChI=1S/C9H13.ClH.Ti/c1-8(2)7-9-5-3-4-6-9;;/h3,5,8H,4,7H2,1-2H3;1H;/q-1;;
InChIKeyNAVRYBNVNBKOHT-UHFFFAOYSA-N
XLogP3.14
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds2
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500205.53
LogP ≤ 53.14
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;hydrochloride?
The IUPAC name of 2-(2-methylpropyl)cyclopenta-1,3-diene;titanium;hydrochloride (CID 174945783) is 2-(2-methylpropyl)cyclopenta-1,3-diene;titanium;hydrochloride.
What is the SMILES notation for 2-(2-methylpropyl)cyclopenta-1,3-diene;titanium;hydrochloride?
The canonical SMILES for 2-(2-methylpropyl)cyclopenta-1,3-diene;titanium;hydrochloride is CC(C)CC1=[C-]CC=C1.Cl.[Ti].
What is the InChIKey of 2-(2-methylpropyl)cyclopenta-1,3-diene;titanium;hydrochloride?
The InChIKey is NAVRYBNVNBKOHT-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H13.ClH.Ti/c1-8(2)7-9-5-3-4-6-9;;/h3,5,8H,4,7H2,1-2H3;1H;/q-1;;.
What are the key properties of 2-(2-methylpropyl)cyclopenta-1,3-diene;titanium;hydrochloride?
2-(2-methylpropyl)cyclopenta-1,3-diene;titanium;hydrochloride has a molecular weight of 205.53 g/mol, XLogP of 3.14, 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;hydrochloride is sourced from PubChem (CID 174945783), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).