carbanide;3-hydroxybutan-2-yloxymethanone;yttrium

C6H12O3Y-2 — CID 167703271

IUPACcarbanide;3-hydroxybutan-2-yloxymethanone;yttrium
SMILESCC(O)C(C)O[C-]=O.[CH3-].[Y]
InChIInChI=1S/C5H9O3.CH3.Y/c1-4(7)5(2)8-3-6;;/h4-5,7H,1-2H3;1H3;/q2*-1;
InChIKeySSGZONSHKSHUKR-UHFFFAOYSA-N
MW221.06 g/mol
LogP0.29
Rot. Bonds3

About carbanide;3-hydroxybutan-2-yloxymethanone;yttrium

carbanide;3-hydroxybutan-2-yloxymethanone;yttrium (PubChem CID 167703271) has the molecular formula C6H12O3Y-2 and a molecular weight of 221.06 g/mol. Its IUPAC name is carbanide;3-hydroxybutan-2-yloxymethanone;yttrium.

Molecular Properties

Compound Namecarbanide;3-hydroxybutan-2-yloxymethanone;yttrium
PubChem CID167703271
Molecular FormulaC6H12O3Y-2
Molecular Weight221.06 g/mol
Exact Mass220.99
IUPAC Namecarbanide;3-hydroxybutan-2-yloxymethanone;yttrium
SMILESCC(O)C(C)O[C-]=O.[CH3-].[Y]
InChIInChI=1S/C5H9O3.CH3.Y/c1-4(7)5(2)8-3-6;;/h4-5,7H,1-2H3;1H3;/q2*-1;
InChIKeySSGZONSHKSHUKR-UHFFFAOYSA-N
XLogP0.29
TPSA46.53 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500221.06
LogP ≤ 50.29
H-Bond Donors ≤ 51
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 carbanide;3-hydroxybutan-2-yloxymethanone;yttrium?
The IUPAC name of carbanide;3-hydroxybutan-2-yloxymethanone;yttrium (CID 167703271) is carbanide;3-hydroxybutan-2-yloxymethanone;yttrium.
What is the SMILES notation for carbanide;3-hydroxybutan-2-yloxymethanone;yttrium?
The canonical SMILES for carbanide;3-hydroxybutan-2-yloxymethanone;yttrium is CC(O)C(C)O[C-]=O.[CH3-].[Y].
What is the InChIKey of carbanide;3-hydroxybutan-2-yloxymethanone;yttrium?
The InChIKey is SSGZONSHKSHUKR-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H9O3.CH3.Y/c1-4(7)5(2)8-3-6;;/h4-5,7H,1-2H3;1H3;/q2*-1;.
What are the key properties of carbanide;3-hydroxybutan-2-yloxymethanone;yttrium?
carbanide;3-hydroxybutan-2-yloxymethanone;yttrium has a molecular weight of 221.06 g/mol, XLogP of 0.29, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for carbanide;3-hydroxybutan-2-yloxymethanone;yttrium is sourced from PubChem (CID 167703271), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).