5-ethenyl-3-ethyl-5-fluoro-2-methoxy-4-methyloxane

C11H19FO2 — CID 91221192

IUPAC5-ethenyl-3-ethyl-5-fluoro-2-methoxy-4-methyloxane
SMILESC=CC1(F)COC(OC)C(CC)C1C
InChIInChI=1S/C11H19FO2/c1-5-9-8(3)11(12,6-2)7-14-10(9)13-4/h6,8-10H,2,5,7H2,1,3-4H3
InChIKeyGDFBORULMGJNQI-UHFFFAOYSA-N
MW202.27 g/mol
LogP2.55
Rot. Bonds3

About 5-ethenyl-3-ethyl-5-fluoro-2-methoxy-4-methyloxane

5-ethenyl-3-ethyl-5-fluoro-2-methoxy-4-methyloxane (PubChem CID 91221192) has the molecular formula C11H19FO2 and a molecular weight of 202.27 g/mol. Its IUPAC name is 5-ethenyl-3-ethyl-5-fluoro-2-methoxy-4-methyloxane.

Molecular Properties

Compound Name5-ethenyl-3-ethyl-5-fluoro-2-methoxy-4-methyloxane
PubChem CID91221192
Molecular FormulaC11H19FO2
Molecular Weight202.27 g/mol
Exact Mass202.14
IUPAC Name5-ethenyl-3-ethyl-5-fluoro-2-methoxy-4-methyloxane
SMILESC=CC1(F)COC(OC)C(CC)C1C
InChIInChI=1S/C11H19FO2/c1-5-9-8(3)11(12,6-2)7-14-10(9)13-4/h6,8-10H,2,5,7H2,1,3-4H3
InChIKeyGDFBORULMGJNQI-UHFFFAOYSA-N
XLogP2.55
TPSA18.46 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500202.27
LogP ≤ 52.55
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 5-ethenyl-3-ethyl-5-fluoro-2-methoxy-4-methyloxane?
The IUPAC name of 5-ethenyl-3-ethyl-5-fluoro-2-methoxy-4-methyloxane (CID 91221192) is 5-ethenyl-3-ethyl-5-fluoro-2-methoxy-4-methyloxane.
What is the SMILES notation for 5-ethenyl-3-ethyl-5-fluoro-2-methoxy-4-methyloxane?
The canonical SMILES for 5-ethenyl-3-ethyl-5-fluoro-2-methoxy-4-methyloxane is C=CC1(F)COC(OC)C(CC)C1C.
What is the InChIKey of 5-ethenyl-3-ethyl-5-fluoro-2-methoxy-4-methyloxane?
The InChIKey is GDFBORULMGJNQI-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H19FO2/c1-5-9-8(3)11(12,6-2)7-14-10(9)13-4/h6,8-10H,2,5,7H2,1,3-4H3.
What are the key properties of 5-ethenyl-3-ethyl-5-fluoro-2-methoxy-4-methyloxane?
5-ethenyl-3-ethyl-5-fluoro-2-methoxy-4-methyloxane has a molecular weight of 202.27 g/mol, XLogP of 2.55, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-ethenyl-3-ethyl-5-fluoro-2-methoxy-4-methyloxane is sourced from PubChem (CID 91221192), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).