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

C10H15Cl2OTi — CID 87975764

IUPAC2-(1-propan-2-yloxyethyl)cyclopenta-1,3-diene;titanium(3+);dichloride
SMILESCC(C)OC(C)C1=[C-]CC=C1.[Cl-].[Cl-].[Ti+3]
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;;;+3/p-2
InChIKeyVBHBKIQEERVKQV-UHFFFAOYSA-L
MW270.00 g/mol
LogP-3.51
Rot. Bonds3

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

2-(1-propan-2-yloxyethyl)cyclopenta-1,3-diene;titanium(3+);dichloride (PubChem CID 87975764) has the molecular formula C10H15Cl2OTi and a molecular weight of 270.00 g/mol. Its IUPAC name is 2-(1-propan-2-yloxyethyl)cyclopenta-1,3-diene;titanium(3+);dichloride.

Molecular Properties

Compound Name2-(1-propan-2-yloxyethyl)cyclopenta-1,3-diene;titanium(3+);dichloride
PubChem CID87975764
Molecular FormulaC10H15Cl2OTi
Molecular Weight270.00 g/mol
Exact Mass269.00
IUPAC Name2-(1-propan-2-yloxyethyl)cyclopenta-1,3-diene;titanium(3+);dichloride
SMILESCC(C)OC(C)C1=[C-]CC=C1.[Cl-].[Cl-].[Ti+3]
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;;;+3/p-2
InChIKeyVBHBKIQEERVKQV-UHFFFAOYSA-L
XLogP-3.51
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500270.00
LogP ≤ 5-3.51
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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-(1-propan-2-yloxyethyl)cyclopenta-1,3-diene;titanium(3+);dichloride?
The IUPAC name of 2-(1-propan-2-yloxyethyl)cyclopenta-1,3-diene;titanium(3+);dichloride (CID 87975764) is 2-(1-propan-2-yloxyethyl)cyclopenta-1,3-diene;titanium(3+);dichloride.
What is the SMILES notation for 2-(1-propan-2-yloxyethyl)cyclopenta-1,3-diene;titanium(3+);dichloride?
The canonical SMILES for 2-(1-propan-2-yloxyethyl)cyclopenta-1,3-diene;titanium(3+);dichloride is CC(C)OC(C)C1=[C-]CC=C1.[Cl-].[Cl-].[Ti+3].
What is the InChIKey of 2-(1-propan-2-yloxyethyl)cyclopenta-1,3-diene;titanium(3+);dichloride?
The InChIKey is VBHBKIQEERVKQV-UHFFFAOYSA-L. 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;;;+3/p-2.
What are the key properties of 2-(1-propan-2-yloxyethyl)cyclopenta-1,3-diene;titanium(3+);dichloride?
2-(1-propan-2-yloxyethyl)cyclopenta-1,3-diene;titanium(3+);dichloride has a molecular weight of 270.00 g/mol, XLogP of -3.51, 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(3+);dichloride is sourced from PubChem (CID 87975764), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).