acetic acid;yttrium;pentahydrate

C2H14O7Y — CID 172997379

IUPACacetic acid;yttrium;pentahydrate
SMILESCC(=O)O.O.O.O.O.O.[Y]
InChIInChI=1S/C2H4O2.5H2O.Y/c1-2(3)4;;;;;;/h1H3,(H,3,4);5*1H2;
InChIKeyFMBHNOPNDLVSRS-UHFFFAOYSA-N
MW239.03 g/mol
LogP-4.04
Rot. Bonds

About acetic acid;yttrium;pentahydrate

acetic acid;yttrium;pentahydrate (PubChem CID 172997379) has the molecular formula C2H14O7Y and a molecular weight of 239.03 g/mol. Its IUPAC name is acetic acid;yttrium;pentahydrate.

Molecular Properties

Compound Nameacetic acid;yttrium;pentahydrate
PubChem CID172997379
Molecular FormulaC2H14O7Y
Molecular Weight239.03 g/mol
Exact Mass238.98
IUPAC Nameacetic acid;yttrium;pentahydrate
SMILESCC(=O)O.O.O.O.O.O.[Y]
InChIInChI=1S/C2H4O2.5H2O.Y/c1-2(3)4;;;;;;/h1H3,(H,3,4);5*1H2;
InChIKeyFMBHNOPNDLVSRS-UHFFFAOYSA-N
XLogP-4.04
TPSA194.80 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500239.03
LogP ≤ 5-4.04
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of acetic acid;yttrium;pentahydrate?
The IUPAC name of acetic acid;yttrium;pentahydrate (CID 172997379) is acetic acid;yttrium;pentahydrate.
What is the SMILES notation for acetic acid;yttrium;pentahydrate?
The canonical SMILES for acetic acid;yttrium;pentahydrate is CC(=O)O.O.O.O.O.O.[Y].
What is the InChIKey of acetic acid;yttrium;pentahydrate?
The InChIKey is FMBHNOPNDLVSRS-UHFFFAOYSA-N. The full InChI is InChI=1S/C2H4O2.5H2O.Y/c1-2(3)4;;;;;;/h1H3,(H,3,4);5*1H2;.
What are the key properties of acetic acid;yttrium;pentahydrate?
acetic acid;yttrium;pentahydrate has a molecular weight of 239.03 g/mol, XLogP of -4.04, 0 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for acetic acid;yttrium;pentahydrate is sourced from PubChem (CID 172997379), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).