methoxyethane;propan-1-ol;titanium

C6H15O2Ti- — CID 89313976

IUPACmethoxyethane;propan-1-ol;titanium
SMILESCCCO.[CH2-]COC.[Ti]
InChIInChI=1S/C3H7O.C3H8O.Ti/c1-3-4-2;1-2-3-4;/h1,3H2,2H3;4H,2-3H2,1H3;/q-1;;
InChIKeyCPHRSVYOXMCEIR-UHFFFAOYSA-N
MW167.05 g/mol
LogP0.85
Rot. Bonds2

About methoxyethane;propan-1-ol;titanium

methoxyethane;propan-1-ol;titanium (PubChem CID 89313976) has the molecular formula C6H15O2Ti- and a molecular weight of 167.05 g/mol. Its IUPAC name is methoxyethane;propan-1-ol;titanium.

Molecular Properties

Compound Namemethoxyethane;propan-1-ol;titanium
PubChem CID89313976
Molecular FormulaC6H15O2Ti-
Molecular Weight167.05 g/mol
Exact Mass167.06
IUPAC Namemethoxyethane;propan-1-ol;titanium
SMILESCCCO.[CH2-]COC.[Ti]
InChIInChI=1S/C3H7O.C3H8O.Ti/c1-3-4-2;1-2-3-4;/h1,3H2,2H3;4H,2-3H2,1H3;/q-1;;
InChIKeyCPHRSVYOXMCEIR-UHFFFAOYSA-N
XLogP0.85
TPSA29.46 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500167.05
LogP ≤ 50.85
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of methoxyethane;propan-1-ol;titanium?
The IUPAC name of methoxyethane;propan-1-ol;titanium (CID 89313976) is methoxyethane;propan-1-ol;titanium.
What is the SMILES notation for methoxyethane;propan-1-ol;titanium?
The canonical SMILES for methoxyethane;propan-1-ol;titanium is CCCO.[CH2-]COC.[Ti].
What is the InChIKey of methoxyethane;propan-1-ol;titanium?
The InChIKey is CPHRSVYOXMCEIR-UHFFFAOYSA-N. The full InChI is InChI=1S/C3H7O.C3H8O.Ti/c1-3-4-2;1-2-3-4;/h1,3H2,2H3;4H,2-3H2,1H3;/q-1;;.
What are the key properties of methoxyethane;propan-1-ol;titanium?
methoxyethane;propan-1-ol;titanium has a molecular weight of 167.05 g/mol, XLogP of 0.85, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for methoxyethane;propan-1-ol;titanium is sourced from PubChem (CID 89313976), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).