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

C11H17Cl2OTi — CID 87976259

IUPAC2-(1-propan-2-yloxypropyl)cyclopenta-1,3-diene;titanium(3+);dichloride
SMILESCCC(OC(C)C)C1=[C-]CC=C1.[Cl-].[Cl-].[Ti+3]
InChIInChI=1S/C11H17O.2ClH.Ti/c1-4-11(12-9(2)3)10-7-5-6-8-10;;;/h5,7,9,11H,4,6H2,1-3H3;2*1H;/q-1;;;+3/p-2
InChIKeyRSZAJXCPJQYLBM-UHFFFAOYSA-L
MW284.03 g/mol
LogP-3.12
Rot. Bonds4

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

2-(1-propan-2-yloxypropyl)cyclopenta-1,3-diene;titanium(3+);dichloride (PubChem CID 87976259) has the molecular formula C11H17Cl2OTi and a molecular weight of 284.03 g/mol. Its IUPAC name is 2-(1-propan-2-yloxypropyl)cyclopenta-1,3-diene;titanium(3+);dichloride.

Molecular Properties

Compound Name2-(1-propan-2-yloxypropyl)cyclopenta-1,3-diene;titanium(3+);dichloride
PubChem CID87976259
Molecular FormulaC11H17Cl2OTi
Molecular Weight284.03 g/mol
Exact Mass283.01
IUPAC Name2-(1-propan-2-yloxypropyl)cyclopenta-1,3-diene;titanium(3+);dichloride
SMILESCCC(OC(C)C)C1=[C-]CC=C1.[Cl-].[Cl-].[Ti+3]
InChIInChI=1S/C11H17O.2ClH.Ti/c1-4-11(12-9(2)3)10-7-5-6-8-10;;;/h5,7,9,11H,4,6H2,1-3H3;2*1H;/q-1;;;+3/p-2
InChIKeyRSZAJXCPJQYLBM-UHFFFAOYSA-L
XLogP-3.12
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500284.03
LogP ≤ 5-3.12
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-yloxypropyl)cyclopenta-1,3-diene;titanium(3+);dichloride?
The IUPAC name of 2-(1-propan-2-yloxypropyl)cyclopenta-1,3-diene;titanium(3+);dichloride (CID 87976259) is 2-(1-propan-2-yloxypropyl)cyclopenta-1,3-diene;titanium(3+);dichloride.
What is the SMILES notation for 2-(1-propan-2-yloxypropyl)cyclopenta-1,3-diene;titanium(3+);dichloride?
The canonical SMILES for 2-(1-propan-2-yloxypropyl)cyclopenta-1,3-diene;titanium(3+);dichloride is CCC(OC(C)C)C1=[C-]CC=C1.[Cl-].[Cl-].[Ti+3].
What is the InChIKey of 2-(1-propan-2-yloxypropyl)cyclopenta-1,3-diene;titanium(3+);dichloride?
The InChIKey is RSZAJXCPJQYLBM-UHFFFAOYSA-L. The full InChI is InChI=1S/C11H17O.2ClH.Ti/c1-4-11(12-9(2)3)10-7-5-6-8-10;;;/h5,7,9,11H,4,6H2,1-3H3;2*1H;/q-1;;;+3/p-2.
What are the key properties of 2-(1-propan-2-yloxypropyl)cyclopenta-1,3-diene;titanium(3+);dichloride?
2-(1-propan-2-yloxypropyl)cyclopenta-1,3-diene;titanium(3+);dichloride has a molecular weight of 284.03 g/mol, XLogP of -3.12, 4 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(1-propan-2-yloxypropyl)cyclopenta-1,3-diene;titanium(3+);dichloride is sourced from PubChem (CID 87976259), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).