2-methylprop-2-en-1-ol;oxirane

C6H12O2 — CID 87800539

IUPAC2-methylprop-2-en-1-ol;oxirane
SMILESC1CO1.C=C(C)CO
InChIInChI=1S/C4H8O.C2H4O/c1-4(2)3-5;1-2-3-1/h5H,1,3H2,2H3;1-2H2
InChIKeyUVXAMDSDTUGVJY-UHFFFAOYSA-N
MW116.16 g/mol
LogP0.57
Rot. Bonds1

About 2-methylprop-2-en-1-ol;oxirane

2-methylprop-2-en-1-ol;oxirane (PubChem CID 87800539) has the molecular formula C6H12O2 and a molecular weight of 116.16 g/mol. Its IUPAC name is 2-methylprop-2-en-1-ol;oxirane.

Molecular Properties

Compound Name2-methylprop-2-en-1-ol;oxirane
PubChem CID87800539
Molecular FormulaC6H12O2
Molecular Weight116.16 g/mol
Exact Mass116.08
IUPAC Name2-methylprop-2-en-1-ol;oxirane
SMILESC1CO1.C=C(C)CO
InChIInChI=1S/C4H8O.C2H4O/c1-4(2)3-5;1-2-3-1/h5H,1,3H2,2H3;1-2H2
InChIKeyUVXAMDSDTUGVJY-UHFFFAOYSA-N
XLogP0.57
TPSA32.76 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms8
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500116.16
LogP ≤ 50.57
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 2-methylprop-2-en-1-ol;oxirane?
The IUPAC name of 2-methylprop-2-en-1-ol;oxirane (CID 87800539) is 2-methylprop-2-en-1-ol;oxirane.
What is the SMILES notation for 2-methylprop-2-en-1-ol;oxirane?
The canonical SMILES for 2-methylprop-2-en-1-ol;oxirane is C1CO1.C=C(C)CO.
What is the InChIKey of 2-methylprop-2-en-1-ol;oxirane?
The InChIKey is UVXAMDSDTUGVJY-UHFFFAOYSA-N. The full InChI is InChI=1S/C4H8O.C2H4O/c1-4(2)3-5;1-2-3-1/h5H,1,3H2,2H3;1-2H2.
What are the key properties of 2-methylprop-2-en-1-ol;oxirane?
2-methylprop-2-en-1-ol;oxirane has a molecular weight of 116.16 g/mol, XLogP of 0.57, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methylprop-2-en-1-ol;oxirane is sourced from PubChem (CID 87800539), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).