methyl acetate;titanium

C3H6O2Ti — CID 87665287

IUPACmethyl acetate;titanium
SMILESCOC(C)=O.[Ti]
InChIInChI=1S/C3H6O2.Ti/c1-3(4)5-2;/h1-2H3;
InChIKeyFNBCJFYFZKGQKY-UHFFFAOYSA-N
MW121.95 g/mol
LogP0.18
Rot. Bonds

About methyl acetate;titanium

methyl acetate;titanium (PubChem CID 87665287) has the molecular formula C3H6O2Ti and a molecular weight of 121.95 g/mol. Its IUPAC name is methyl acetate;titanium.

Molecular Properties

Compound Namemethyl acetate;titanium
PubChem CID87665287
Molecular FormulaC3H6O2Ti
Molecular Weight121.95 g/mol
Exact Mass121.98
IUPAC Namemethyl acetate;titanium
SMILESCOC(C)=O.[Ti]
InChIInChI=1S/C3H6O2.Ti/c1-3(4)5-2;/h1-2H3;
InChIKeyFNBCJFYFZKGQKY-UHFFFAOYSA-N
XLogP0.18
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms6
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500121.95
LogP ≤ 50.18
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

methyl acetate;ruthenium
CID 160799101
methane;methyl acetate
CID 162094565
argon;methyl acetate
CID 169424774
bismuthane;methyl acetate
CID 174537209
copper;methyl acetate
CID 174340034
methane;methyl acetate
CID 158871569
CID 159985177
CID 159985177
deuteride;methyl acetate;hydrate
CID 160772266
tetrakis(cyclohexane);methyl acetate
CID 159246653
methyl acetate;nitrous acid
CID 174825102
CID 164988510
CID 164988510
2-chloropropane;methyl acetate
CID 157293612

Frequently Asked Questions

What is the IUPAC name of methyl acetate;titanium?
The IUPAC name of methyl acetate;titanium (CID 87665287) is methyl acetate;titanium.
What is the SMILES notation for methyl acetate;titanium?
The canonical SMILES for methyl acetate;titanium is COC(C)=O.[Ti].
What is the InChIKey of methyl acetate;titanium?
The InChIKey is FNBCJFYFZKGQKY-UHFFFAOYSA-N. The full InChI is InChI=1S/C3H6O2.Ti/c1-3(4)5-2;/h1-2H3;.
What are the key properties of methyl acetate;titanium?
methyl acetate;titanium has a molecular weight of 121.95 g/mol, XLogP of 0.18, 0 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for methyl acetate;titanium is sourced from PubChem (CID 87665287), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).