2-[1-(oxiran-2-yl)prop-2-enoxy]ethanol

C7H12O3 — CID 87755062

IUPAC2-[1-(oxiran-2-yl)prop-2-enoxy]ethanol
SMILESC=CC(OCCO)C1CO1
InChIInChI=1S/C7H12O3/c1-2-6(7-5-10-7)9-4-3-8/h2,6-8H,1,3-5H2
InChIKeyRFJJYBQLZQQJKE-UHFFFAOYSA-N
MW144.17 g/mol
LogP-0.05
Rot. Bonds5

About 2-[1-(oxiran-2-yl)prop-2-enoxy]ethanol

2-[1-(oxiran-2-yl)prop-2-enoxy]ethanol (PubChem CID 87755062) has the molecular formula C7H12O3 and a molecular weight of 144.17 g/mol. Its IUPAC name is 2-[1-(oxiran-2-yl)prop-2-enoxy]ethanol.

Molecular Properties

Compound Name2-[1-(oxiran-2-yl)prop-2-enoxy]ethanol
PubChem CID87755062
Molecular FormulaC7H12O3
Molecular Weight144.17 g/mol
Exact Mass144.08
IUPAC Name2-[1-(oxiran-2-yl)prop-2-enoxy]ethanol
SMILESC=CC(OCCO)C1CO1
InChIInChI=1S/C7H12O3/c1-2-6(7-5-10-7)9-4-3-8/h2,6-8H,1,3-5H2
InChIKeyRFJJYBQLZQQJKE-UHFFFAOYSA-N
XLogP-0.05
TPSA41.99 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500144.17
LogP ≤ 5-0.05
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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-[1-(oxiran-2-yl)prop-2-enoxy]ethanol?
The IUPAC name of 2-[1-(oxiran-2-yl)prop-2-enoxy]ethanol (CID 87755062) is 2-[1-(oxiran-2-yl)prop-2-enoxy]ethanol.
What is the SMILES notation for 2-[1-(oxiran-2-yl)prop-2-enoxy]ethanol?
The canonical SMILES for 2-[1-(oxiran-2-yl)prop-2-enoxy]ethanol is C=CC(OCCO)C1CO1.
What is the InChIKey of 2-[1-(oxiran-2-yl)prop-2-enoxy]ethanol?
The InChIKey is RFJJYBQLZQQJKE-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H12O3/c1-2-6(7-5-10-7)9-4-3-8/h2,6-8H,1,3-5H2.
What are the key properties of 2-[1-(oxiran-2-yl)prop-2-enoxy]ethanol?
2-[1-(oxiran-2-yl)prop-2-enoxy]ethanol has a molecular weight of 144.17 g/mol, XLogP of -0.05, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[1-(oxiran-2-yl)prop-2-enoxy]ethanol is sourced from PubChem (CID 87755062), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).