ethyl propanoate;titanium(4+);tetrachloride

C5H10Cl4O2Ti — CID 173205872

IUPACethyl propanoate;titanium(4+);tetrachloride
SMILESCCOC(=O)CC.[Cl-].[Cl-].[Cl-].[Cl-].[Ti+4]
InChIInChI=1S/C5H10O2.4ClH.Ti/c1-3-5(6)7-4-2;;;;;/h3-4H2,1-2H3;4*1H;/q;;;;;+4/p-4
InChIKeyUXMZFVOERWBQEJ-UHFFFAOYSA-J
MW291.81 g/mol
LogP-11.03
Rot. Bonds2

About ethyl propanoate;titanium(4+);tetrachloride

ethyl propanoate;titanium(4+);tetrachloride (PubChem CID 173205872) has the molecular formula C5H10Cl4O2Ti and a molecular weight of 291.81 g/mol. Its IUPAC name is ethyl propanoate;titanium(4+);tetrachloride.

Molecular Properties

Compound Nameethyl propanoate;titanium(4+);tetrachloride
PubChem CID173205872
Molecular FormulaC5H10Cl4O2Ti
Molecular Weight291.81 g/mol
Exact Mass289.89
IUPAC Nameethyl propanoate;titanium(4+);tetrachloride
SMILESCCOC(=O)CC.[Cl-].[Cl-].[Cl-].[Cl-].[Ti+4]
InChIInChI=1S/C5H10O2.4ClH.Ti/c1-3-5(6)7-4-2;;;;;/h3-4H2,1-2H3;4*1H;/q;;;;;+4/p-4
InChIKeyUXMZFVOERWBQEJ-UHFFFAOYSA-J
XLogP-11.03
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500291.81
LogP ≤ 5-11.03
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

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Frequently Asked Questions

What is the IUPAC name of ethyl propanoate;titanium(4+);tetrachloride?
The IUPAC name of ethyl propanoate;titanium(4+);tetrachloride (CID 173205872) is ethyl propanoate;titanium(4+);tetrachloride.
What is the SMILES notation for ethyl propanoate;titanium(4+);tetrachloride?
The canonical SMILES for ethyl propanoate;titanium(4+);tetrachloride is CCOC(=O)CC.[Cl-].[Cl-].[Cl-].[Cl-].[Ti+4].
What is the InChIKey of ethyl propanoate;titanium(4+);tetrachloride?
The InChIKey is UXMZFVOERWBQEJ-UHFFFAOYSA-J. The full InChI is InChI=1S/C5H10O2.4ClH.Ti/c1-3-5(6)7-4-2;;;;;/h3-4H2,1-2H3;4*1H;/q;;;;;+4/p-4.
What are the key properties of ethyl propanoate;titanium(4+);tetrachloride?
ethyl propanoate;titanium(4+);tetrachloride has a molecular weight of 291.81 g/mol, XLogP of -11.03, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl propanoate;titanium(4+);tetrachloride is sourced from PubChem (CID 173205872), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).