methanidylbenzene;methanol;zirconium

C10H19O3Zr- — CID 18314936

IUPACmethanidylbenzene;methanol;zirconium
SMILESCO.CO.CO.[CH2-]c1ccccc1.[Zr]
InChIInChI=1S/C7H7.3CH4O.Zr/c1-7-5-3-2-4-6-7;3*1-2;/h2-6H,1H2;3*2H,1H3;/q-1;;;;
InChIKeyFWWIKFBMAKRILI-UHFFFAOYSA-N
MW278.48 g/mol
LogP0.69
Rot. Bonds

About methanidylbenzene;methanol;zirconium

methanidylbenzene;methanol;zirconium (PubChem CID 18314936) has the molecular formula C10H19O3Zr- and a molecular weight of 278.48 g/mol. Its IUPAC name is methanidylbenzene;methanol;zirconium.

Molecular Properties

Compound Namemethanidylbenzene;methanol;zirconium
PubChem CID18314936
Molecular FormulaC10H19O3Zr-
Molecular Weight278.48 g/mol
Exact Mass277.04
IUPAC Namemethanidylbenzene;methanol;zirconium
SMILESCO.CO.CO.[CH2-]c1ccccc1.[Zr]
InChIInChI=1S/C7H7.3CH4O.Zr/c1-7-5-3-2-4-6-7;3*1-2;/h2-6H,1H2;3*2H,1H3;/q-1;;;;
InChIKeyFWWIKFBMAKRILI-UHFFFAOYSA-N
XLogP0.69
TPSA60.69 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500278.48
LogP ≤ 50.69
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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Frequently Asked Questions

What is the IUPAC name of methanidylbenzene;methanol;zirconium?
The IUPAC name of methanidylbenzene;methanol;zirconium (CID 18314936) is methanidylbenzene;methanol;zirconium.
What is the SMILES notation for methanidylbenzene;methanol;zirconium?
The canonical SMILES for methanidylbenzene;methanol;zirconium is CO.CO.CO.[CH2-]c1ccccc1.[Zr].
What is the InChIKey of methanidylbenzene;methanol;zirconium?
The InChIKey is FWWIKFBMAKRILI-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H7.3CH4O.Zr/c1-7-5-3-2-4-6-7;3*1-2;/h2-6H,1H2;3*2H,1H3;/q-1;;;;.
What are the key properties of methanidylbenzene;methanol;zirconium?
methanidylbenzene;methanol;zirconium has a molecular weight of 278.48 g/mol, XLogP of 0.69, 0 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for methanidylbenzene;methanol;zirconium is sourced from PubChem (CID 18314936), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).