4-ethenyl-4-ethyl-2,2-dimethyloxane

C11H20O — CID 123243919

IUPAC4-ethenyl-4-ethyl-2,2-dimethyloxane
SMILESC=CC1(CC)CCOC(C)(C)C1
InChIInChI=1S/C11H20O/c1-5-11(6-2)7-8-12-10(3,4)9-11/h5H,1,6-9H2,2-4H3
InChIKeyXYBWJZBUQUMSMH-UHFFFAOYSA-N
MW168.28 g/mol
LogP3.16
Rot. Bonds2

About 4-ethenyl-4-ethyl-2,2-dimethyloxane

4-ethenyl-4-ethyl-2,2-dimethyloxane (PubChem CID 123243919) has the molecular formula C11H20O and a molecular weight of 168.28 g/mol. Its IUPAC name is 4-ethenyl-4-ethyl-2,2-dimethyloxane.

Molecular Properties

Compound Name4-ethenyl-4-ethyl-2,2-dimethyloxane
PubChem CID123243919
Molecular FormulaC11H20O
Molecular Weight168.28 g/mol
Exact Mass168.15
IUPAC Name4-ethenyl-4-ethyl-2,2-dimethyloxane
SMILESC=CC1(CC)CCOC(C)(C)C1
InChIInChI=1S/C11H20O/c1-5-11(6-2)7-8-12-10(3,4)9-11/h5H,1,6-9H2,2-4H3
InChIKeyXYBWJZBUQUMSMH-UHFFFAOYSA-N
XLogP3.16
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500168.28
LogP ≤ 53.16
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

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Related Compounds

Artemiseole
CID 521927
(1R,5S,6R)-6-ethenyl-1,4,4-trimethyl-3-oxabicyclo[3.1.0]hexane
CID 163031293
(1S,5R,6R)-6-ethenyl-1,4,4-trimethyl-3-oxabicyclo[3.1.0]hexane
CID 163031292
2-Ethenyl-2,5,5-trimethyloxane
CID 85685250
(1R,5S,6S)-6-ethenyl-1,4,4-trimethyl-3-oxabicyclo[3.1.0]hexane
CID 11008115
2,2-dimethyl-4-[(E)-2-(methyloxy)ethenyl]tetrahydro-2H-pyran
CID 57699609
4-(2-Methoxyethenyl)-2,2-dimethyloxane
CID 67314163
2,2,3,3,4,4,5,5-Octamethyl-6-methylideneoxane
CID 67949096
2-Ethenyl-2,3-dimethyloxane
CID 69532472
2-Ethenyl-2,3,3-trimethyloxane
CID 69532524
3-Ethenyl-2,2-dimethyloxane
CID 69532542
3-Ethenyl-2,2,3-trimethyloxane
CID 69533065

Frequently Asked Questions

What is the IUPAC name of 4-ethenyl-4-ethyl-2,2-dimethyloxane?
The IUPAC name of 4-ethenyl-4-ethyl-2,2-dimethyloxane (CID 123243919) is 4-ethenyl-4-ethyl-2,2-dimethyloxane.
What is the SMILES notation for 4-ethenyl-4-ethyl-2,2-dimethyloxane?
The canonical SMILES for 4-ethenyl-4-ethyl-2,2-dimethyloxane is C=CC1(CC)CCOC(C)(C)C1.
What is the InChIKey of 4-ethenyl-4-ethyl-2,2-dimethyloxane?
The InChIKey is XYBWJZBUQUMSMH-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H20O/c1-5-11(6-2)7-8-12-10(3,4)9-11/h5H,1,6-9H2,2-4H3.
What are the key properties of 4-ethenyl-4-ethyl-2,2-dimethyloxane?
4-ethenyl-4-ethyl-2,2-dimethyloxane has a molecular weight of 168.28 g/mol, XLogP of 3.16, 2 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 4-ethenyl-4-ethyl-2,2-dimethyloxane is sourced from PubChem (CID 123243919), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).