6-(prop-2-enoxymethyl)-3-oxatricyclo[3.2.1.02,4]octane

C11H16O2 — CID 12574062

IUPAC6-(prop-2-enoxymethyl)-3-oxatricyclo[3.2.1.02,4]octane
SMILESC=CCOCC1CC2CC1C1OC21
InChIInChI=1S/C11H16O2/c1-2-3-12-6-8-4-7-5-9(8)11-10(7)13-11/h2,7-11H,1,3-6H2
InChIKeyYPBADIFOYBLAOB-UHFFFAOYSA-N
MW180.25 g/mol
LogP1.61
Rot. Bonds4

About 6-(prop-2-enoxymethyl)-3-oxatricyclo[3.2.1.02,4]octane

6-(prop-2-enoxymethyl)-3-oxatricyclo[3.2.1.02,4]octane (PubChem CID 12574062) has the molecular formula C11H16O2 and a molecular weight of 180.25 g/mol. Its IUPAC name is 6-(prop-2-enoxymethyl)-3-oxatricyclo[3.2.1.02,4]octane.

Molecular Properties

Compound Name6-(prop-2-enoxymethyl)-3-oxatricyclo[3.2.1.02,4]octane
PubChem CID12574062
Molecular FormulaC11H16O2
Molecular Weight180.25 g/mol
Exact Mass180.12
IUPAC Name6-(prop-2-enoxymethyl)-3-oxatricyclo[3.2.1.02,4]octane
SMILESC=CCOCC1CC2CC1C1OC21
InChIInChI=1S/C11H16O2/c1-2-3-12-6-8-4-7-5-9(8)11-10(7)13-11/h2,7-11H,1,3-6H2
InChIKeyYPBADIFOYBLAOB-UHFFFAOYSA-N
XLogP1.61
TPSA21.76 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500180.25
LogP ≤ 51.61
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'isolated_alkene', 'substructure': 'N/A'}, {'alert_name': 'Three-membered_heterocycle', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 6-(prop-2-enoxymethyl)-3-oxatricyclo[3.2.1.02,4]octane?
The IUPAC name of 6-(prop-2-enoxymethyl)-3-oxatricyclo[3.2.1.02,4]octane (CID 12574062) is 6-(prop-2-enoxymethyl)-3-oxatricyclo[3.2.1.02,4]octane.
What is the SMILES notation for 6-(prop-2-enoxymethyl)-3-oxatricyclo[3.2.1.02,4]octane?
The canonical SMILES for 6-(prop-2-enoxymethyl)-3-oxatricyclo[3.2.1.02,4]octane is C=CCOCC1CC2CC1C1OC21.
What is the InChIKey of 6-(prop-2-enoxymethyl)-3-oxatricyclo[3.2.1.02,4]octane?
The InChIKey is YPBADIFOYBLAOB-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H16O2/c1-2-3-12-6-8-4-7-5-9(8)11-10(7)13-11/h2,7-11H,1,3-6H2.
What are the key properties of 6-(prop-2-enoxymethyl)-3-oxatricyclo[3.2.1.02,4]octane?
6-(prop-2-enoxymethyl)-3-oxatricyclo[3.2.1.02,4]octane has a molecular weight of 180.25 g/mol, XLogP of 1.61, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(prop-2-enoxymethyl)-3-oxatricyclo[3.2.1.02,4]octane is sourced from PubChem (CID 12574062), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).