2,2,4-trimethyl-4-prop-2-enyloxane

C11H20O — CID 129106228

IUPAC2,2,4-trimethyl-4-prop-2-enyloxane
SMILESC=CCC1(C)CCOC(C)(C)C1
InChIInChI=1S/C11H20O/c1-5-6-11(4)7-8-12-10(2,3)9-11/h5H,1,6-9H2,2-4H3
InChIKeyOEFJTKTYAGHDJY-UHFFFAOYSA-N
MW168.28 g/mol
LogP3.16
Rot. Bonds2

About 2,2,4-trimethyl-4-prop-2-enyloxane

2,2,4-trimethyl-4-prop-2-enyloxane (PubChem CID 129106228) has the molecular formula C11H20O and a molecular weight of 168.28 g/mol. Its IUPAC name is 2,2,4-trimethyl-4-prop-2-enyloxane.

Molecular Properties

Compound Name2,2,4-trimethyl-4-prop-2-enyloxane
PubChem CID129106228
Molecular FormulaC11H20O
Molecular Weight168.28 g/mol
Exact Mass168.15
IUPAC Name2,2,4-trimethyl-4-prop-2-enyloxane
SMILESC=CCC1(C)CCOC(C)(C)C1
InChIInChI=1S/C11H20O/c1-5-6-11(4)7-8-12-10(2,3)9-11/h5H,1,6-9H2,2-4H3
InChIKeyOEFJTKTYAGHDJY-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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Frequently Asked Questions

What is the IUPAC name of 2,2,4-trimethyl-4-prop-2-enyloxane?
The IUPAC name of 2,2,4-trimethyl-4-prop-2-enyloxane (CID 129106228) is 2,2,4-trimethyl-4-prop-2-enyloxane.
What is the SMILES notation for 2,2,4-trimethyl-4-prop-2-enyloxane?
The canonical SMILES for 2,2,4-trimethyl-4-prop-2-enyloxane is C=CCC1(C)CCOC(C)(C)C1.
What is the InChIKey of 2,2,4-trimethyl-4-prop-2-enyloxane?
The InChIKey is OEFJTKTYAGHDJY-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H20O/c1-5-6-11(4)7-8-12-10(2,3)9-11/h5H,1,6-9H2,2-4H3.
What are the key properties of 2,2,4-trimethyl-4-prop-2-enyloxane?
2,2,4-trimethyl-4-prop-2-enyloxane 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 2,2,4-trimethyl-4-prop-2-enyloxane is sourced from PubChem (CID 129106228), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).