3-prop-2-enyl-3-[(3-prop-2-enyloxetan-3-yl)methoxymethyl]oxetane

C14H22O3 — CID 70019190

IUPAC3-prop-2-enyl-3-[(3-prop-2-enyloxetan-3-yl)methoxymethyl]oxetane
SMILESC=CCC1(COCC2(CC=C)COC2)COC1
InChIInChI=1S/C14H22O3/c1-3-5-13(7-15-8-13)11-17-12-14(6-4-2)9-16-10-14/h3-4H,1-2,5-12H2
InChIKeyHIPKMROUKQSPEM-UHFFFAOYSA-N
MW238.33 g/mol
LogP2.19
Rot. Bonds8

About 3-prop-2-enyl-3-[(3-prop-2-enyloxetan-3-yl)methoxymethyl]oxetane

3-prop-2-enyl-3-[(3-prop-2-enyloxetan-3-yl)methoxymethyl]oxetane (PubChem CID 70019190) has the molecular formula C14H22O3 and a molecular weight of 238.33 g/mol. Its IUPAC name is 3-prop-2-enyl-3-[(3-prop-2-enyloxetan-3-yl)methoxymethyl]oxetane.

Molecular Properties

Compound Name3-prop-2-enyl-3-[(3-prop-2-enyloxetan-3-yl)methoxymethyl]oxetane
PubChem CID70019190
Molecular FormulaC14H22O3
Molecular Weight238.33 g/mol
Exact Mass238.16
IUPAC Name3-prop-2-enyl-3-[(3-prop-2-enyloxetan-3-yl)methoxymethyl]oxetane
SMILESC=CCC1(COCC2(CC=C)COC2)COC1
InChIInChI=1S/C14H22O3/c1-3-5-13(7-15-8-13)11-17-12-14(6-4-2)9-16-10-14/h3-4H,1-2,5-12H2
InChIKeyHIPKMROUKQSPEM-UHFFFAOYSA-N
XLogP2.19
TPSA27.69 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500238.33
LogP ≤ 52.19
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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 3-prop-2-enyl-3-[(3-prop-2-enyloxetan-3-yl)methoxymethyl]oxetane?
The IUPAC name of 3-prop-2-enyl-3-[(3-prop-2-enyloxetan-3-yl)methoxymethyl]oxetane (CID 70019190) is 3-prop-2-enyl-3-[(3-prop-2-enyloxetan-3-yl)methoxymethyl]oxetane.
What is the SMILES notation for 3-prop-2-enyl-3-[(3-prop-2-enyloxetan-3-yl)methoxymethyl]oxetane?
The canonical SMILES for 3-prop-2-enyl-3-[(3-prop-2-enyloxetan-3-yl)methoxymethyl]oxetane is C=CCC1(COCC2(CC=C)COC2)COC1.
What is the InChIKey of 3-prop-2-enyl-3-[(3-prop-2-enyloxetan-3-yl)methoxymethyl]oxetane?
The InChIKey is HIPKMROUKQSPEM-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H22O3/c1-3-5-13(7-15-8-13)11-17-12-14(6-4-2)9-16-10-14/h3-4H,1-2,5-12H2.
What are the key properties of 3-prop-2-enyl-3-[(3-prop-2-enyloxetan-3-yl)methoxymethyl]oxetane?
3-prop-2-enyl-3-[(3-prop-2-enyloxetan-3-yl)methoxymethyl]oxetane has a molecular weight of 238.33 g/mol, XLogP of 2.19, 8 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-prop-2-enyl-3-[(3-prop-2-enyloxetan-3-yl)methoxymethyl]oxetane is sourced from PubChem (CID 70019190), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).