1-prop-1-enoxyethane-1,2-diol

C5H10O3 — CID 141199363

IUPAC1-prop-1-enoxyethane-1,2-diol
SMILESCC=COC(O)CO
InChIInChI=1S/C5H10O3/c1-2-3-8-5(7)4-6/h2-3,5-7H,4H2,1H3
InChIKeyLVZKFCQLWXFFIU-UHFFFAOYSA-N
MW118.13 g/mol
LogP-0.15
Rot. Bonds3

About 1-prop-1-enoxyethane-1,2-diol

1-prop-1-enoxyethane-1,2-diol (PubChem CID 141199363) has the molecular formula C5H10O3 and a molecular weight of 118.13 g/mol. Its IUPAC name is 1-prop-1-enoxyethane-1,2-diol.

Molecular Properties

Compound Name1-prop-1-enoxyethane-1,2-diol
PubChem CID141199363
Molecular FormulaC5H10O3
Molecular Weight118.13 g/mol
Exact Mass118.06
IUPAC Name1-prop-1-enoxyethane-1,2-diol
SMILESCC=COC(O)CO
InChIInChI=1S/C5H10O3/c1-2-3-8-5(7)4-6/h2-3,5-7H,4H2,1H3
InChIKeyLVZKFCQLWXFFIU-UHFFFAOYSA-N
XLogP-0.15
TPSA49.69 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms8
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500118.13
LogP ≤ 5-0.15
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 1-prop-1-enoxyethane-1,2-diol?
The IUPAC name of 1-prop-1-enoxyethane-1,2-diol (CID 141199363) is 1-prop-1-enoxyethane-1,2-diol.
What is the SMILES notation for 1-prop-1-enoxyethane-1,2-diol?
The canonical SMILES for 1-prop-1-enoxyethane-1,2-diol is CC=COC(O)CO.
What is the InChIKey of 1-prop-1-enoxyethane-1,2-diol?
The InChIKey is LVZKFCQLWXFFIU-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H10O3/c1-2-3-8-5(7)4-6/h2-3,5-7H,4H2,1H3.
What are the key properties of 1-prop-1-enoxyethane-1,2-diol?
1-prop-1-enoxyethane-1,2-diol has a molecular weight of 118.13 g/mol, XLogP of -0.15, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-prop-1-enoxyethane-1,2-diol is sourced from PubChem (CID 141199363), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).