(2R,5S)-2-ethyl-5-methanidyloxolane;tungsten

C7H13OW- — CID 59834110

IUPAC(2R,5S)-2-ethyl-5-methanidyloxolane;tungsten
SMILES[CH2-][C@H]1CC[C@@H](CC)O1.[W]
InChIInChI=1S/C7H13O.W/c1-3-7-5-4-6(2)8-7;/h6-7H,2-5H2,1H3;/q-1;/t6-,7+;/m0./s1
InChIKeyMHPHKPJHBKTMJE-UOERWJHTSA-N
MW297.02 g/mol
LogP1.78
Rot. Bonds1

About (2R,5S)-2-ethyl-5-methanidyloxolane;tungsten

(2R,5S)-2-ethyl-5-methanidyloxolane;tungsten (PubChem CID 59834110) has the molecular formula C7H13OW- and a molecular weight of 297.02 g/mol. Its IUPAC name is (2R,5S)-2-ethyl-5-methanidyloxolane;tungsten.

Molecular Properties

Compound Name(2R,5S)-2-ethyl-5-methanidyloxolane;tungsten
PubChem CID59834110
Molecular FormulaC7H13OW-
Molecular Weight297.02 g/mol
Exact Mass297.05
IUPAC Name(2R,5S)-2-ethyl-5-methanidyloxolane;tungsten
SMILES[CH2-][C@H]1CC[C@@H](CC)O1.[W]
InChIInChI=1S/C7H13O.W/c1-3-7-5-4-6(2)8-7;/h6-7H,2-5H2,1H3;/q-1;/t6-,7+;/m0./s1
InChIKeyMHPHKPJHBKTMJE-UOERWJHTSA-N
XLogP1.78
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500297.02
LogP ≤ 51.78
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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 (2R,5S)-2-ethyl-5-methanidyloxolane;tungsten?
The IUPAC name of (2R,5S)-2-ethyl-5-methanidyloxolane;tungsten (CID 59834110) is (2R,5S)-2-ethyl-5-methanidyloxolane;tungsten.
What is the SMILES notation for (2R,5S)-2-ethyl-5-methanidyloxolane;tungsten?
The canonical SMILES for (2R,5S)-2-ethyl-5-methanidyloxolane;tungsten is [CH2-][C@H]1CC[C@@H](CC)O1.[W].
What is the InChIKey of (2R,5S)-2-ethyl-5-methanidyloxolane;tungsten?
The InChIKey is MHPHKPJHBKTMJE-UOERWJHTSA-N. The full InChI is InChI=1S/C7H13O.W/c1-3-7-5-4-6(2)8-7;/h6-7H,2-5H2,1H3;/q-1;/t6-,7+;/m0./s1.
What are the key properties of (2R,5S)-2-ethyl-5-methanidyloxolane;tungsten?
(2R,5S)-2-ethyl-5-methanidyloxolane;tungsten has a molecular weight of 297.02 g/mol, XLogP of 1.78, 1 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (2R,5S)-2-ethyl-5-methanidyloxolane;tungsten is sourced from PubChem (CID 59834110), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).