1-ethoxy-2-methylprop-2-en-1-ol

C6H12O2 — CID 59966157

IUPAC1-ethoxy-2-methylprop-2-en-1-ol
SMILESC=C(C)C(O)OCC
InChIInChI=1S/C6H12O2/c1-4-8-6(7)5(2)3/h6-7H,2,4H2,1,3H3
InChIKeyFHRUILZGFQMIJA-UHFFFAOYSA-N
MW116.16 g/mol
LogP0.92
Rot. Bonds3

About 1-ethoxy-2-methylprop-2-en-1-ol

1-ethoxy-2-methylprop-2-en-1-ol (PubChem CID 59966157) has the molecular formula C6H12O2 and a molecular weight of 116.16 g/mol. Its IUPAC name is 1-ethoxy-2-methylprop-2-en-1-ol.

Molecular Properties

Compound Name1-ethoxy-2-methylprop-2-en-1-ol
PubChem CID59966157
Molecular FormulaC6H12O2
Molecular Weight116.16 g/mol
Exact Mass116.08
IUPAC Name1-ethoxy-2-methylprop-2-en-1-ol
SMILESC=C(C)C(O)OCC
InChIInChI=1S/C6H12O2/c1-4-8-6(7)5(2)3/h6-7H,2,4H2,1,3H3
InChIKeyFHRUILZGFQMIJA-UHFFFAOYSA-N
XLogP0.92
TPSA29.46 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms8
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500116.16
LogP ≤ 50.92
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'het-C-het_not_in_ring', 'substructure': 'N/A'}, {'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 1-ethoxy-2-methylprop-2-en-1-ol?
The IUPAC name of 1-ethoxy-2-methylprop-2-en-1-ol (CID 59966157) is 1-ethoxy-2-methylprop-2-en-1-ol.
What is the SMILES notation for 1-ethoxy-2-methylprop-2-en-1-ol?
The canonical SMILES for 1-ethoxy-2-methylprop-2-en-1-ol is C=C(C)C(O)OCC.
What is the InChIKey of 1-ethoxy-2-methylprop-2-en-1-ol?
The InChIKey is FHRUILZGFQMIJA-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H12O2/c1-4-8-6(7)5(2)3/h6-7H,2,4H2,1,3H3.
What are the key properties of 1-ethoxy-2-methylprop-2-en-1-ol?
1-ethoxy-2-methylprop-2-en-1-ol has a molecular weight of 116.16 g/mol, XLogP of 0.92, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-ethoxy-2-methylprop-2-en-1-ol is sourced from PubChem (CID 59966157), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).