methanol;methylbenzene;titanium

C10H19O3Ti- — CID 141397968

IUPACmethanol;methylbenzene;titanium
SMILESCO.CO.CO.Cc1cc[c-]cc1.[Ti]
InChIInChI=1S/C7H7.3CH4O.Ti/c1-7-5-3-2-4-6-7;3*1-2;/h3-6H,1H3;3*2H,1H3;/q-1;;;;
InChIKeyVXONOXVOOFJITQ-UHFFFAOYSA-N
MW235.13 g/mol
LogP0.62
Rot. Bonds

About methanol;methylbenzene;titanium

methanol;methylbenzene;titanium (PubChem CID 141397968) has the molecular formula C10H19O3Ti- and a molecular weight of 235.13 g/mol. Its IUPAC name is methanol;methylbenzene;titanium.

Molecular Properties

Compound Namemethanol;methylbenzene;titanium
PubChem CID141397968
Molecular FormulaC10H19O3Ti-
Molecular Weight235.13 g/mol
Exact Mass235.08
IUPAC Namemethanol;methylbenzene;titanium
SMILESCO.CO.CO.Cc1cc[c-]cc1.[Ti]
InChIInChI=1S/C7H7.3CH4O.Ti/c1-7-5-3-2-4-6-7;3*1-2;/h3-6H,1H3;3*2H,1H3;/q-1;;;;
InChIKeyVXONOXVOOFJITQ-UHFFFAOYSA-N
XLogP0.62
TPSA60.69 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500235.13
LogP ≤ 50.62
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Carbo_cation/anion', 'substructure': 'N/A'}

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Related Compounds

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CID 87204624
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Frequently Asked Questions

What is the IUPAC name of methanol;methylbenzene;titanium?
The IUPAC name of methanol;methylbenzene;titanium (CID 141397968) is methanol;methylbenzene;titanium.
What is the SMILES notation for methanol;methylbenzene;titanium?
The canonical SMILES for methanol;methylbenzene;titanium is CO.CO.CO.Cc1cc[c-]cc1.[Ti].
What is the InChIKey of methanol;methylbenzene;titanium?
The InChIKey is VXONOXVOOFJITQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H7.3CH4O.Ti/c1-7-5-3-2-4-6-7;3*1-2;/h3-6H,1H3;3*2H,1H3;/q-1;;;;.
What are the key properties of methanol;methylbenzene;titanium?
methanol;methylbenzene;titanium has a molecular weight of 235.13 g/mol, XLogP of 0.62, 0 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for methanol;methylbenzene;titanium is sourced from PubChem (CID 141397968), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).