2-(1-propan-2-yloxyethyl)cyclopenta-1,3-diene;titanium;dihydrochloride

C10H17Cl2OTi- — CID 87975768

IUPAC2-(1-propan-2-yloxyethyl)cyclopenta-1,3-diene;titanium;dihydrochloride
SMILESCC(C)OC(C)C1=[C-]CC=C1.Cl.Cl.[Ti]
InChIInChI=1S/C10H15O.2ClH.Ti/c1-8(2)11-9(3)10-6-4-5-7-10;;;/h4,6,8-9H,5H2,1-3H3;2*1H;/q-1;;;
InChIKeyFJYSXALDUCSKSN-UHFFFAOYSA-N
MW272.02 g/mol
LogP3.33
Rot. Bonds3

About 2-(1-propan-2-yloxyethyl)cyclopenta-1,3-diene;titanium;dihydrochloride

2-(1-propan-2-yloxyethyl)cyclopenta-1,3-diene;titanium;dihydrochloride (PubChem CID 87975768) has the molecular formula C10H17Cl2OTi- and a molecular weight of 272.02 g/mol. Its IUPAC name is 2-(1-propan-2-yloxyethyl)cyclopenta-1,3-diene;titanium;dihydrochloride.

Molecular Properties

Compound Name2-(1-propan-2-yloxyethyl)cyclopenta-1,3-diene;titanium;dihydrochloride
PubChem CID87975768
Molecular FormulaC10H17Cl2OTi-
Molecular Weight272.02 g/mol
Exact Mass271.01
IUPAC Name2-(1-propan-2-yloxyethyl)cyclopenta-1,3-diene;titanium;dihydrochloride
SMILESCC(C)OC(C)C1=[C-]CC=C1.Cl.Cl.[Ti]
InChIInChI=1S/C10H15O.2ClH.Ti/c1-8(2)11-9(3)10-6-4-5-7-10;;;/h4,6,8-9H,5H2,1-3H3;2*1H;/q-1;;;
InChIKeyFJYSXALDUCSKSN-UHFFFAOYSA-N
XLogP3.33
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500272.02
LogP ≤ 53.33
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Carbo_cation/anion', 'substructure': 'N/A'}

Analyze 2-(1-propan-2-yloxyethyl)cyclopenta-1,3-diene;titanium;dihydrochloride with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 2-(1-propan-2-yloxyethyl)cyclopenta-1,3-diene;titanium;dihydrochloride?
The IUPAC name of 2-(1-propan-2-yloxyethyl)cyclopenta-1,3-diene;titanium;dihydrochloride (CID 87975768) is 2-(1-propan-2-yloxyethyl)cyclopenta-1,3-diene;titanium;dihydrochloride.
What is the SMILES notation for 2-(1-propan-2-yloxyethyl)cyclopenta-1,3-diene;titanium;dihydrochloride?
The canonical SMILES for 2-(1-propan-2-yloxyethyl)cyclopenta-1,3-diene;titanium;dihydrochloride is CC(C)OC(C)C1=[C-]CC=C1.Cl.Cl.[Ti].
What is the InChIKey of 2-(1-propan-2-yloxyethyl)cyclopenta-1,3-diene;titanium;dihydrochloride?
The InChIKey is FJYSXALDUCSKSN-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H15O.2ClH.Ti/c1-8(2)11-9(3)10-6-4-5-7-10;;;/h4,6,8-9H,5H2,1-3H3;2*1H;/q-1;;;.
What are the key properties of 2-(1-propan-2-yloxyethyl)cyclopenta-1,3-diene;titanium;dihydrochloride?
2-(1-propan-2-yloxyethyl)cyclopenta-1,3-diene;titanium;dihydrochloride has a molecular weight of 272.02 g/mol, XLogP of 3.33, 3 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(1-propan-2-yloxyethyl)cyclopenta-1,3-diene;titanium;dihydrochloride is sourced from PubChem (CID 87975768), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).