methyl 2-methylpropanoate;titanium

C5H10O2Ti — CID 174633551

IUPACmethyl 2-methylpropanoate;titanium
SMILESCOC(=O)C(C)C.[Ti]
InChIInChI=1S/C5H10O2.Ti/c1-4(2)5(6)7-3;/h4H,1-3H3;
InChIKeyVZDFABQXYXBJNE-UHFFFAOYSA-N
MW150.00 g/mol
LogP0.81
Rot. Bonds1

About methyl 2-methylpropanoate;titanium

methyl 2-methylpropanoate;titanium (PubChem CID 174633551) has the molecular formula C5H10O2Ti and a molecular weight of 150.00 g/mol. Its IUPAC name is methyl 2-methylpropanoate;titanium.

Molecular Properties

Compound Namemethyl 2-methylpropanoate;titanium
PubChem CID174633551
Molecular FormulaC5H10O2Ti
Molecular Weight150.00 g/mol
Exact Mass150.02
IUPAC Namemethyl 2-methylpropanoate;titanium
SMILESCOC(=O)C(C)C.[Ti]
InChIInChI=1S/C5H10O2.Ti/c1-4(2)5(6)7-3;/h4H,1-3H3;
InChIKeyVZDFABQXYXBJNE-UHFFFAOYSA-N
XLogP0.81
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms8
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500150.00
LogP ≤ 50.81
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

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methyl 2-hydroxypropanoate;hydrochloride
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Frequently Asked Questions

What is the IUPAC name of methyl 2-methylpropanoate;titanium?
The IUPAC name of methyl 2-methylpropanoate;titanium (CID 174633551) is methyl 2-methylpropanoate;titanium.
What is the SMILES notation for methyl 2-methylpropanoate;titanium?
The canonical SMILES for methyl 2-methylpropanoate;titanium is COC(=O)C(C)C.[Ti].
What is the InChIKey of methyl 2-methylpropanoate;titanium?
The InChIKey is VZDFABQXYXBJNE-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H10O2.Ti/c1-4(2)5(6)7-3;/h4H,1-3H3;.
What are the key properties of methyl 2-methylpropanoate;titanium?
methyl 2-methylpropanoate;titanium has a molecular weight of 150.00 g/mol, XLogP of 0.81, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 2-methylpropanoate;titanium is sourced from PubChem (CID 174633551), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).