3,4-bis(prop-1-enoxy)oxolane;oxetane

C13H22O4 — CID 157255873

IUPAC3,4-bis(prop-1-enoxy)oxolane;oxetane
SMILESC1COC1.CC=COC1COCC1OC=CC
InChIInChI=1S/C10H16O3.C3H6O/c1-3-5-12-9-7-11-8-10(9)13-6-4-2;1-2-4-3-1/h3-6,9-10H,7-8H2,1-2H3;1-3H2
InChIKeyAWWQBWIRVZXKHI-UHFFFAOYSA-N
MW242.31 g/mol
LogP2.26
Rot. Bonds4

About 3,4-bis(prop-1-enoxy)oxolane;oxetane

3,4-bis(prop-1-enoxy)oxolane;oxetane (PubChem CID 157255873) has the molecular formula C13H22O4 and a molecular weight of 242.31 g/mol. Its IUPAC name is 3,4-bis(prop-1-enoxy)oxolane;oxetane.

Molecular Properties

Compound Name3,4-bis(prop-1-enoxy)oxolane;oxetane
PubChem CID157255873
Molecular FormulaC13H22O4
Molecular Weight242.31 g/mol
Exact Mass242.15
IUPAC Name3,4-bis(prop-1-enoxy)oxolane;oxetane
SMILESC1COC1.CC=COC1COCC1OC=CC
InChIInChI=1S/C10H16O3.C3H6O/c1-3-5-12-9-7-11-8-10(9)13-6-4-2;1-2-4-3-1/h3-6,9-10H,7-8H2,1-2H3;1-3H2
InChIKeyAWWQBWIRVZXKHI-UHFFFAOYSA-N
XLogP2.26
TPSA36.92 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500242.31
LogP ≤ 52.26
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 3,4-bis(prop-1-enoxy)oxolane;oxetane?
The IUPAC name of 3,4-bis(prop-1-enoxy)oxolane;oxetane (CID 157255873) is 3,4-bis(prop-1-enoxy)oxolane;oxetane.
What is the SMILES notation for 3,4-bis(prop-1-enoxy)oxolane;oxetane?
The canonical SMILES for 3,4-bis(prop-1-enoxy)oxolane;oxetane is C1COC1.CC=COC1COCC1OC=CC.
What is the InChIKey of 3,4-bis(prop-1-enoxy)oxolane;oxetane?
The InChIKey is AWWQBWIRVZXKHI-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H16O3.C3H6O/c1-3-5-12-9-7-11-8-10(9)13-6-4-2;1-2-4-3-1/h3-6,9-10H,7-8H2,1-2H3;1-3H2.
What are the key properties of 3,4-bis(prop-1-enoxy)oxolane;oxetane?
3,4-bis(prop-1-enoxy)oxolane;oxetane has a molecular weight of 242.31 g/mol, XLogP of 2.26, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3,4-bis(prop-1-enoxy)oxolane;oxetane is sourced from PubChem (CID 157255873), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).