butane;ethane;ethoxymethanol;bis(yttrium)

C9H21O2Y2-3 — CID 58657612

IUPACbutane;ethane;ethoxymethanol;bis(yttrium)
SMILESC[CH-]CC.C[CH-]OCO.[CH2-]C.[Y].[Y]
InChIInChI=1S/C4H9.C3H7O2.C2H5.2Y/c1-3-4-2;1-2-5-3-4;1-2;;/h3H,4H2,1-2H3;2,4H,3H2,1H3;1H2,2H3;;/q3*-1;;
InChIKeyOAESIZADAXKEEN-UHFFFAOYSA-N
MW339.08 g/mol
LogP2.59
Rot. Bonds3

About butane;ethane;ethoxymethanol;bis(yttrium)

butane;ethane;ethoxymethanol;bis(yttrium) (PubChem CID 58657612) has the molecular formula C9H21O2Y2-3 and a molecular weight of 339.08 g/mol. Its IUPAC name is butane;ethane;ethoxymethanol;bis(yttrium).

Molecular Properties

Compound Namebutane;ethane;ethoxymethanol;bis(yttrium)
PubChem CID58657612
Molecular FormulaC9H21O2Y2-3
Molecular Weight339.08 g/mol
Exact Mass338.97
IUPAC Namebutane;ethane;ethoxymethanol;bis(yttrium)
SMILESC[CH-]CC.C[CH-]OCO.[CH2-]C.[Y].[Y]
InChIInChI=1S/C4H9.C3H7O2.C2H5.2Y/c1-3-4-2;1-2-5-3-4;1-2;;/h3H,4H2,1-2H3;2,4H,3H2,1H3;1H2,2H3;;/q3*-1;;
InChIKeyOAESIZADAXKEEN-UHFFFAOYSA-N
XLogP2.59
TPSA29.46 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500339.08
LogP ≤ 52.59
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Carbo_cation/anion', 'substructure': 'N/A'}, {'alert_name': 'het-C-het_not_in_ring', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of butane;ethane;ethoxymethanol;bis(yttrium)?
The IUPAC name of butane;ethane;ethoxymethanol;bis(yttrium) (CID 58657612) is butane;ethane;ethoxymethanol;bis(yttrium).
What is the SMILES notation for butane;ethane;ethoxymethanol;bis(yttrium)?
The canonical SMILES for butane;ethane;ethoxymethanol;bis(yttrium) is C[CH-]CC.C[CH-]OCO.[CH2-]C.[Y].[Y].
What is the InChIKey of butane;ethane;ethoxymethanol;bis(yttrium)?
The InChIKey is OAESIZADAXKEEN-UHFFFAOYSA-N. The full InChI is InChI=1S/C4H9.C3H7O2.C2H5.2Y/c1-3-4-2;1-2-5-3-4;1-2;;/h3H,4H2,1-2H3;2,4H,3H2,1H3;1H2,2H3;;/q3*-1;;.
What are the key properties of butane;ethane;ethoxymethanol;bis(yttrium)?
butane;ethane;ethoxymethanol;bis(yttrium) has a molecular weight of 339.08 g/mol, XLogP of 2.59, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for butane;ethane;ethoxymethanol;bis(yttrium) is sourced from PubChem (CID 58657612), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).