butan-1-one;hydroxymethanone;propan-1-one;yttrium

C9H14O6Y-4 — CID 158993125

IUPACbutan-1-one;hydroxymethanone;propan-1-one;yttrium
SMILESCCC[C-]=O.CC[C-]=O.O=[C-]O.O=[C-]O.[Y]
InChIInChI=1S/C4H7O.C3H5O.2CHO2.Y/c1-2-3-4-5;1-2-3-4;2*2-1-3;/h2-3H2,1H3;2H2,1H3;2*(H,2,3);/q4*-1;
InChIKeyRRNGLCDXDRMVEA-UHFFFAOYSA-N
MW307.11 g/mol
LogP0.62
Rot. Bonds3

About butan-1-one;hydroxymethanone;propan-1-one;yttrium

butan-1-one;hydroxymethanone;propan-1-one;yttrium (PubChem CID 158993125) has the molecular formula C9H14O6Y-4 and a molecular weight of 307.11 g/mol. Its IUPAC name is butan-1-one;hydroxymethanone;propan-1-one;yttrium.

Molecular Properties

Compound Namebutan-1-one;hydroxymethanone;propan-1-one;yttrium
PubChem CID158993125
Molecular FormulaC9H14O6Y-4
Molecular Weight307.11 g/mol
Exact Mass306.99
IUPAC Namebutan-1-one;hydroxymethanone;propan-1-one;yttrium
SMILESCCC[C-]=O.CC[C-]=O.O=[C-]O.O=[C-]O.[Y]
InChIInChI=1S/C4H7O.C3H5O.2CHO2.Y/c1-2-3-4-5;1-2-3-4;2*2-1-3;/h2-3H2,1H3;2H2,1H3;2*(H,2,3);/q4*-1;
InChIKeyRRNGLCDXDRMVEA-UHFFFAOYSA-N
XLogP0.62
TPSA108.74 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500307.11
LogP ≤ 50.62
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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 butan-1-one;hydroxymethanone;propan-1-one;yttrium?
The IUPAC name of butan-1-one;hydroxymethanone;propan-1-one;yttrium (CID 158993125) is butan-1-one;hydroxymethanone;propan-1-one;yttrium.
What is the SMILES notation for butan-1-one;hydroxymethanone;propan-1-one;yttrium?
The canonical SMILES for butan-1-one;hydroxymethanone;propan-1-one;yttrium is CCC[C-]=O.CC[C-]=O.O=[C-]O.O=[C-]O.[Y].
What is the InChIKey of butan-1-one;hydroxymethanone;propan-1-one;yttrium?
The InChIKey is RRNGLCDXDRMVEA-UHFFFAOYSA-N. The full InChI is InChI=1S/C4H7O.C3H5O.2CHO2.Y/c1-2-3-4-5;1-2-3-4;2*2-1-3;/h2-3H2,1H3;2H2,1H3;2*(H,2,3);/q4*-1;.
What are the key properties of butan-1-one;hydroxymethanone;propan-1-one;yttrium?
butan-1-one;hydroxymethanone;propan-1-one;yttrium has a molecular weight of 307.11 g/mol, XLogP of 0.62, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for butan-1-one;hydroxymethanone;propan-1-one;yttrium is sourced from PubChem (CID 158993125), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).