3-(3-methylpent-4-enoxy)-3-propyloxetane

C12H22O2 — CID 118482958

IUPAC3-(3-methylpent-4-enoxy)-3-propyloxetane
SMILESC=CC(C)CCOC1(CCC)COC1
InChIInChI=1S/C12H22O2/c1-4-7-12(9-13-10-12)14-8-6-11(3)5-2/h5,11H,2,4,6-10H2,1,3H3
InChIKeyNQMUCDUTCGDWKH-UHFFFAOYSA-N
MW198.31 g/mol
LogP2.78
Rot. Bonds7

About 3-(3-methylpent-4-enoxy)-3-propyloxetane

3-(3-methylpent-4-enoxy)-3-propyloxetane (PubChem CID 118482958) has the molecular formula C12H22O2 and a molecular weight of 198.31 g/mol. Its IUPAC name is 3-(3-methylpent-4-enoxy)-3-propyloxetane.

Molecular Properties

Compound Name3-(3-methylpent-4-enoxy)-3-propyloxetane
PubChem CID118482958
Molecular FormulaC12H22O2
Molecular Weight198.31 g/mol
Exact Mass198.16
IUPAC Name3-(3-methylpent-4-enoxy)-3-propyloxetane
SMILESC=CC(C)CCOC1(CCC)COC1
InChIInChI=1S/C12H22O2/c1-4-7-12(9-13-10-12)14-8-6-11(3)5-2/h5,11H,2,4,6-10H2,1,3H3
InChIKeyNQMUCDUTCGDWKH-UHFFFAOYSA-N
XLogP2.78
TPSA18.46 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500198.31
LogP ≤ 52.78
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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-(3-methylpent-4-enoxy)-3-propyloxetane?
The IUPAC name of 3-(3-methylpent-4-enoxy)-3-propyloxetane (CID 118482958) is 3-(3-methylpent-4-enoxy)-3-propyloxetane.
What is the SMILES notation for 3-(3-methylpent-4-enoxy)-3-propyloxetane?
The canonical SMILES for 3-(3-methylpent-4-enoxy)-3-propyloxetane is C=CC(C)CCOC1(CCC)COC1.
What is the InChIKey of 3-(3-methylpent-4-enoxy)-3-propyloxetane?
The InChIKey is NQMUCDUTCGDWKH-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H22O2/c1-4-7-12(9-13-10-12)14-8-6-11(3)5-2/h5,11H,2,4,6-10H2,1,3H3.
What are the key properties of 3-(3-methylpent-4-enoxy)-3-propyloxetane?
3-(3-methylpent-4-enoxy)-3-propyloxetane has a molecular weight of 198.31 g/mol, XLogP of 2.78, 7 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(3-methylpent-4-enoxy)-3-propyloxetane is sourced from PubChem (CID 118482958), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).