1-(2-prop-2-enoxyoxetan-2-yl)ethane-1,2-diol

C8H14O4 — CID 68886926

IUPAC1-(2-prop-2-enoxyoxetan-2-yl)ethane-1,2-diol
SMILESC=CCOC1(C(O)CO)CCO1
InChIInChI=1S/C8H14O4/c1-2-4-11-8(3-5-12-8)7(10)6-9/h2,7,9-10H,1,3-6H2
InChIKeyXFAWHBWNYIBFRP-UHFFFAOYSA-N
MW174.20 g/mol
LogP-0.34
Rot. Bonds5

About 1-(2-prop-2-enoxyoxetan-2-yl)ethane-1,2-diol

1-(2-prop-2-enoxyoxetan-2-yl)ethane-1,2-diol (PubChem CID 68886926) has the molecular formula C8H14O4 and a molecular weight of 174.20 g/mol. Its IUPAC name is 1-(2-prop-2-enoxyoxetan-2-yl)ethane-1,2-diol.

Molecular Properties

Compound Name1-(2-prop-2-enoxyoxetan-2-yl)ethane-1,2-diol
PubChem CID68886926
Molecular FormulaC8H14O4
Molecular Weight174.20 g/mol
Exact Mass174.09
IUPAC Name1-(2-prop-2-enoxyoxetan-2-yl)ethane-1,2-diol
SMILESC=CCOC1(C(O)CO)CCO1
InChIInChI=1S/C8H14O4/c1-2-4-11-8(3-5-12-8)7(10)6-9/h2,7,9-10H,1,3-6H2
InChIKeyXFAWHBWNYIBFRP-UHFFFAOYSA-N
XLogP-0.34
TPSA58.92 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500174.20
LogP ≤ 5-0.34
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 1-(2-prop-2-enoxyoxetan-2-yl)ethane-1,2-diol?
The IUPAC name of 1-(2-prop-2-enoxyoxetan-2-yl)ethane-1,2-diol (CID 68886926) is 1-(2-prop-2-enoxyoxetan-2-yl)ethane-1,2-diol.
What is the SMILES notation for 1-(2-prop-2-enoxyoxetan-2-yl)ethane-1,2-diol?
The canonical SMILES for 1-(2-prop-2-enoxyoxetan-2-yl)ethane-1,2-diol is C=CCOC1(C(O)CO)CCO1.
What is the InChIKey of 1-(2-prop-2-enoxyoxetan-2-yl)ethane-1,2-diol?
The InChIKey is XFAWHBWNYIBFRP-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H14O4/c1-2-4-11-8(3-5-12-8)7(10)6-9/h2,7,9-10H,1,3-6H2.
What are the key properties of 1-(2-prop-2-enoxyoxetan-2-yl)ethane-1,2-diol?
1-(2-prop-2-enoxyoxetan-2-yl)ethane-1,2-diol has a molecular weight of 174.20 g/mol, XLogP of -0.34, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-prop-2-enoxyoxetan-2-yl)ethane-1,2-diol is sourced from PubChem (CID 68886926), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).