4-ethenyl-2,2,4-trimethyloxane

C10H18O — CID 138507369

IUPAC4-ethenyl-2,2,4-trimethyloxane
SMILESC=CC1(C)CCOC(C)(C)C1
InChIInChI=1S/C10H18O/c1-5-10(4)6-7-11-9(2,3)8-10/h5H,1,6-8H2,2-4H3
InChIKeyNMFUQNLKOUTHRG-UHFFFAOYSA-N
MW154.25 g/mol
LogP2.77
Rot. Bonds1

About 4-ethenyl-2,2,4-trimethyloxane

4-ethenyl-2,2,4-trimethyloxane (PubChem CID 138507369) has the molecular formula C10H18O and a molecular weight of 154.25 g/mol. Its IUPAC name is 4-ethenyl-2,2,4-trimethyloxane.

Molecular Properties

Compound Name4-ethenyl-2,2,4-trimethyloxane
PubChem CID138507369
Molecular FormulaC10H18O
Molecular Weight154.25 g/mol
Exact Mass154.14
IUPAC Name4-ethenyl-2,2,4-trimethyloxane
SMILESC=CC1(C)CCOC(C)(C)C1
InChIInChI=1S/C10H18O/c1-5-10(4)6-7-11-9(2,3)8-10/h5H,1,6-8H2,2-4H3
InChIKeyNMFUQNLKOUTHRG-UHFFFAOYSA-N
XLogP2.77
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500154.25
LogP ≤ 52.77
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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 4-ethenyl-2,2,4-trimethyloxane?
The IUPAC name of 4-ethenyl-2,2,4-trimethyloxane (CID 138507369) is 4-ethenyl-2,2,4-trimethyloxane.
What is the SMILES notation for 4-ethenyl-2,2,4-trimethyloxane?
The canonical SMILES for 4-ethenyl-2,2,4-trimethyloxane is C=CC1(C)CCOC(C)(C)C1.
What is the InChIKey of 4-ethenyl-2,2,4-trimethyloxane?
The InChIKey is NMFUQNLKOUTHRG-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H18O/c1-5-10(4)6-7-11-9(2,3)8-10/h5H,1,6-8H2,2-4H3.
What are the key properties of 4-ethenyl-2,2,4-trimethyloxane?
4-ethenyl-2,2,4-trimethyloxane has a molecular weight of 154.25 g/mol, XLogP of 2.77, 1 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 4-ethenyl-2,2,4-trimethyloxane is sourced from PubChem (CID 138507369), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).