ethanol;methanidylbenzene;titanium(3+)

C23H27OTi — CID 18314916

IUPACethanol;methanidylbenzene;titanium(3+)
SMILESCCO.[CH2-]c1ccccc1.[CH2-]c1ccccc1.[CH2-]c1ccccc1.[Ti+3]
InChIInChI=1S/3C7H7.C2H6O.Ti/c3*1-7-5-3-2-4-6-7;1-2-3;/h3*2-6H,1H2;3H,2H2,1H3;/q3*-1;;+3
InChIKeyWRJNTSMUUREVDX-UHFFFAOYSA-N
MW367.34 g/mol
LogP5.60
Rot. Bonds

About ethanol;methanidylbenzene;titanium(3+)

ethanol;methanidylbenzene;titanium(3+) (PubChem CID 18314916) has the molecular formula C23H27OTi and a molecular weight of 367.34 g/mol. Its IUPAC name is ethanol;methanidylbenzene;titanium(3+).

Molecular Properties

Compound Nameethanol;methanidylbenzene;titanium(3+)
PubChem CID18314916
Molecular FormulaC23H27OTi
Molecular Weight367.34 g/mol
Exact Mass367.15
IUPAC Nameethanol;methanidylbenzene;titanium(3+)
SMILESCCO.[CH2-]c1ccccc1.[CH2-]c1ccccc1.[CH2-]c1ccccc1.[Ti+3]
InChIInChI=1S/3C7H7.C2H6O.Ti/c3*1-7-5-3-2-4-6-7;1-2-3;/h3*2-6H,1H2;3H,2H2,1H3;/q3*-1;;+3
InChIKeyWRJNTSMUUREVDX-UHFFFAOYSA-N
XLogP5.60
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms25
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500367.34
LogP ≤ 55.60
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

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Frequently Asked Questions

What is the IUPAC name of ethanol;methanidylbenzene;titanium(3+)?
The IUPAC name of ethanol;methanidylbenzene;titanium(3+) (CID 18314916) is ethanol;methanidylbenzene;titanium(3+).
What is the SMILES notation for ethanol;methanidylbenzene;titanium(3+)?
The canonical SMILES for ethanol;methanidylbenzene;titanium(3+) is CCO.[CH2-]c1ccccc1.[CH2-]c1ccccc1.[CH2-]c1ccccc1.[Ti+3].
What is the InChIKey of ethanol;methanidylbenzene;titanium(3+)?
The InChIKey is WRJNTSMUUREVDX-UHFFFAOYSA-N. The full InChI is InChI=1S/3C7H7.C2H6O.Ti/c3*1-7-5-3-2-4-6-7;1-2-3;/h3*2-6H,1H2;3H,2H2,1H3;/q3*-1;;+3.
What are the key properties of ethanol;methanidylbenzene;titanium(3+)?
ethanol;methanidylbenzene;titanium(3+) has a molecular weight of 367.34 g/mol, XLogP of 5.60, 0 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for ethanol;methanidylbenzene;titanium(3+) is sourced from PubChem (CID 18314916), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).