propan-2-olate;2,2,6,6-tetramethylheptane-3,5-diolate;yttrium(3+)

C14H29O3Y — CID 174304970

IUPACpropan-2-olate;2,2,6,6-tetramethylheptane-3,5-diolate;yttrium(3+)
SMILESCC(C)(C)C([O-])CC([O-])C(C)(C)C.CC(C)[O-].[Y+3]
InChIInChI=1S/C11H22O2.C3H7O.Y/c1-10(2,3)8(12)7-9(13)11(4,5)6;1-3(2)4;/h8-9H,7H2,1-6H3;3H,1-2H3;/q-2;-1;+3
InChIKeyWQMSTOFMZHSLJG-UHFFFAOYSA-N
MW334.29 g/mol
LogP0.68
Rot. Bonds2

About propan-2-olate;2,2,6,6-tetramethylheptane-3,5-diolate;yttrium(3+)

propan-2-olate;2,2,6,6-tetramethylheptane-3,5-diolate;yttrium(3+) (PubChem CID 174304970) has the molecular formula C14H29O3Y and a molecular weight of 334.29 g/mol. Its IUPAC name is propan-2-olate;2,2,6,6-tetramethylheptane-3,5-diolate;yttrium(3+).

Molecular Properties

Compound Namepropan-2-olate;2,2,6,6-tetramethylheptane-3,5-diolate;yttrium(3+)
PubChem CID174304970
Molecular FormulaC14H29O3Y
Molecular Weight334.29 g/mol
Exact Mass334.12
IUPAC Namepropan-2-olate;2,2,6,6-tetramethylheptane-3,5-diolate;yttrium(3+)
SMILESCC(C)(C)C([O-])CC([O-])C(C)(C)C.CC(C)[O-].[Y+3]
InChIInChI=1S/C11H22O2.C3H7O.Y/c1-10(2,3)8(12)7-9(13)11(4,5)6;1-3(2)4;/h8-9H,7H2,1-6H3;3H,1-2H3;/q-2;-1;+3
InChIKeyWQMSTOFMZHSLJG-UHFFFAOYSA-N
XLogP0.68
TPSA69.18 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500334.29
LogP ≤ 50.68
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of propan-2-olate;2,2,6,6-tetramethylheptane-3,5-diolate;yttrium(3+)?
The IUPAC name of propan-2-olate;2,2,6,6-tetramethylheptane-3,5-diolate;yttrium(3+) (CID 174304970) is propan-2-olate;2,2,6,6-tetramethylheptane-3,5-diolate;yttrium(3+).
What is the SMILES notation for propan-2-olate;2,2,6,6-tetramethylheptane-3,5-diolate;yttrium(3+)?
The canonical SMILES for propan-2-olate;2,2,6,6-tetramethylheptane-3,5-diolate;yttrium(3+) is CC(C)(C)C([O-])CC([O-])C(C)(C)C.CC(C)[O-].[Y+3].
What is the InChIKey of propan-2-olate;2,2,6,6-tetramethylheptane-3,5-diolate;yttrium(3+)?
The InChIKey is WQMSTOFMZHSLJG-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H22O2.C3H7O.Y/c1-10(2,3)8(12)7-9(13)11(4,5)6;1-3(2)4;/h8-9H,7H2,1-6H3;3H,1-2H3;/q-2;-1;+3.
What are the key properties of propan-2-olate;2,2,6,6-tetramethylheptane-3,5-diolate;yttrium(3+)?
propan-2-olate;2,2,6,6-tetramethylheptane-3,5-diolate;yttrium(3+) has a molecular weight of 334.29 g/mol, XLogP of 0.68, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for propan-2-olate;2,2,6,6-tetramethylheptane-3,5-diolate;yttrium(3+) is sourced from PubChem (CID 174304970), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).