methanol;titanium;toluene

C10H20O3Ti — CID 160815635

IUPACmethanol;titanium;toluene
SMILESCO.CO.CO.Cc1ccccc1.[Ti]
InChIInChI=1S/C7H8.3CH4O.Ti/c1-7-5-3-2-4-6-7;3*1-2;/h2-6H,1H3;3*2H,1H3;
InChIKeyOYVZTEPZQVNNTK-UHFFFAOYSA-N
MW236.13 g/mol
LogP0.82
Rot. Bonds

About methanol;titanium;toluene

methanol;titanium;toluene (PubChem CID 160815635) has the molecular formula C10H20O3Ti and a molecular weight of 236.13 g/mol. Its IUPAC name is methanol;titanium;toluene.

Molecular Properties

Compound Namemethanol;titanium;toluene
PubChem CID160815635
Molecular FormulaC10H20O3Ti
Molecular Weight236.13 g/mol
Exact Mass236.09
IUPAC Namemethanol;titanium;toluene
SMILESCO.CO.CO.Cc1ccccc1.[Ti]
InChIInChI=1S/C7H8.3CH4O.Ti/c1-7-5-3-2-4-6-7;3*1-2;/h2-6H,1H3;3*2H,1H3;
InChIKeyOYVZTEPZQVNNTK-UHFFFAOYSA-N
XLogP0.82
TPSA60.69 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500236.13
LogP ≤ 50.82
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Related Compounds

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Frequently Asked Questions

What is the IUPAC name of methanol;titanium;toluene?
The IUPAC name of methanol;titanium;toluene (CID 160815635) is methanol;titanium;toluene.
What is the SMILES notation for methanol;titanium;toluene?
The canonical SMILES for methanol;titanium;toluene is CO.CO.CO.Cc1ccccc1.[Ti].
What is the InChIKey of methanol;titanium;toluene?
The InChIKey is OYVZTEPZQVNNTK-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H8.3CH4O.Ti/c1-7-5-3-2-4-6-7;3*1-2;/h2-6H,1H3;3*2H,1H3;.
What are the key properties of methanol;titanium;toluene?
methanol;titanium;toluene has a molecular weight of 236.13 g/mol, XLogP of 0.82, 0 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for methanol;titanium;toluene is sourced from PubChem (CID 160815635), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).