3-methylbut-2-enyl hydrogen sulfite;yttrium

C5H10O3SY — CID 59595522

IUPAC3-methylbut-2-enyl hydrogen sulfite;yttrium
SMILESCC(C)=CCOS(=O)O.[Y]
InChIInChI=1S/C5H10O3S.Y/c1-5(2)3-4-8-9(6)7;/h3H,4H2,1-2H3,(H,6,7);
InChIKeyQOHONNVBDKMUOW-UHFFFAOYSA-N
MW239.10 g/mol
LogP1.10
Rot. Bonds3

About 3-methylbut-2-enyl hydrogen sulfite;yttrium

3-methylbut-2-enyl hydrogen sulfite;yttrium (PubChem CID 59595522) has the molecular formula C5H10O3SY and a molecular weight of 239.10 g/mol. Its IUPAC name is 3-methylbut-2-enyl hydrogen sulfite;yttrium.

Molecular Properties

Compound Name3-methylbut-2-enyl hydrogen sulfite;yttrium
PubChem CID59595522
Molecular FormulaC5H10O3SY
Molecular Weight239.10 g/mol
Exact Mass238.94
IUPAC Name3-methylbut-2-enyl hydrogen sulfite;yttrium
SMILESCC(C)=CCOS(=O)O.[Y]
InChIInChI=1S/C5H10O3S.Y/c1-5(2)3-4-8-9(6)7;/h3H,4H2,1-2H3,(H,6,7);
InChIKeyQOHONNVBDKMUOW-UHFFFAOYSA-N
XLogP1.10
TPSA46.53 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500239.10
LogP ≤ 51.10
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 3-methylbut-2-enyl hydrogen sulfite;yttrium?
The IUPAC name of 3-methylbut-2-enyl hydrogen sulfite;yttrium (CID 59595522) is 3-methylbut-2-enyl hydrogen sulfite;yttrium.
What is the SMILES notation for 3-methylbut-2-enyl hydrogen sulfite;yttrium?
The canonical SMILES for 3-methylbut-2-enyl hydrogen sulfite;yttrium is CC(C)=CCOS(=O)O.[Y].
What is the InChIKey of 3-methylbut-2-enyl hydrogen sulfite;yttrium?
The InChIKey is QOHONNVBDKMUOW-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H10O3S.Y/c1-5(2)3-4-8-9(6)7;/h3H,4H2,1-2H3,(H,6,7);.
What are the key properties of 3-methylbut-2-enyl hydrogen sulfite;yttrium?
3-methylbut-2-enyl hydrogen sulfite;yttrium has a molecular weight of 239.10 g/mol, XLogP of 1.10, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methylbut-2-enyl hydrogen sulfite;yttrium is sourced from PubChem (CID 59595522), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).