2,3-dimethylbut-2-en-1-ol;methane;yttrium;hydrate

C8H22O2Y — CID 159875967

IUPAC2,3-dimethylbut-2-en-1-ol;methane;yttrium;hydrate
SMILESC.C.CC(C)=C(C)CO.O.[Y]
InChIInChI=1S/C6H12O.2CH4.H2O.Y/c1-5(2)6(3)4-7;;;;/h7H,4H2,1-3H3;2*1H4;1H2;
InChIKeySHIHPFRJNPMLRT-UHFFFAOYSA-N
MW239.17 g/mol
LogP1.78
Rot. Bonds1

About 2,3-dimethylbut-2-en-1-ol;methane;yttrium;hydrate

2,3-dimethylbut-2-en-1-ol;methane;yttrium;hydrate (PubChem CID 159875967) has the molecular formula C8H22O2Y and a molecular weight of 239.17 g/mol. Its IUPAC name is 2,3-dimethylbut-2-en-1-ol;methane;yttrium;hydrate.

Molecular Properties

Compound Name2,3-dimethylbut-2-en-1-ol;methane;yttrium;hydrate
PubChem CID159875967
Molecular FormulaC8H22O2Y
Molecular Weight239.17 g/mol
Exact Mass239.07
IUPAC Name2,3-dimethylbut-2-en-1-ol;methane;yttrium;hydrate
SMILESC.C.CC(C)=C(C)CO.O.[Y]
InChIInChI=1S/C6H12O.2CH4.H2O.Y/c1-5(2)6(3)4-7;;;;/h7H,4H2,1-3H3;2*1H4;1H2;
InChIKeySHIHPFRJNPMLRT-UHFFFAOYSA-N
XLogP1.78
TPSA51.73 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500239.17
LogP ≤ 51.78
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 2,3-dimethylbut-2-en-1-ol;methane;yttrium;hydrate?
The IUPAC name of 2,3-dimethylbut-2-en-1-ol;methane;yttrium;hydrate (CID 159875967) is 2,3-dimethylbut-2-en-1-ol;methane;yttrium;hydrate.
What is the SMILES notation for 2,3-dimethylbut-2-en-1-ol;methane;yttrium;hydrate?
The canonical SMILES for 2,3-dimethylbut-2-en-1-ol;methane;yttrium;hydrate is C.C.CC(C)=C(C)CO.O.[Y].
What is the InChIKey of 2,3-dimethylbut-2-en-1-ol;methane;yttrium;hydrate?
The InChIKey is SHIHPFRJNPMLRT-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H12O.2CH4.H2O.Y/c1-5(2)6(3)4-7;;;;/h7H,4H2,1-3H3;2*1H4;1H2;.
What are the key properties of 2,3-dimethylbut-2-en-1-ol;methane;yttrium;hydrate?
2,3-dimethylbut-2-en-1-ol;methane;yttrium;hydrate has a molecular weight of 239.17 g/mol, XLogP of 1.78, 1 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2,3-dimethylbut-2-en-1-ol;methane;yttrium;hydrate is sourced from PubChem (CID 159875967), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).