2-methyl-2-(4-prop-1-en-2-ylphenoxy)oxane

C15H20O2 — CID 139750651

IUPAC2-methyl-2-(4-prop-1-en-2-ylphenoxy)oxane
SMILESC=C(C)c1ccc(OC2(C)CCCCO2)cc1
InChIInChI=1S/C15H20O2/c1-12(2)13-6-8-14(9-7-13)17-15(3)10-4-5-11-16-15/h6-9H,1,4-5,10-11H2,2-3H3
InChIKeyCIAQJNODVMMFHH-UHFFFAOYSA-N
MW232.32 g/mol
LogP4.02
Rot. Bonds3

About 2-methyl-2-(4-prop-1-en-2-ylphenoxy)oxane

2-methyl-2-(4-prop-1-en-2-ylphenoxy)oxane (PubChem CID 139750651) has the molecular formula C15H20O2 and a molecular weight of 232.32 g/mol. Its IUPAC name is 2-methyl-2-(4-prop-1-en-2-ylphenoxy)oxane.

Molecular Properties

Compound Name2-methyl-2-(4-prop-1-en-2-ylphenoxy)oxane
PubChem CID139750651
Molecular FormulaC15H20O2
Molecular Weight232.32 g/mol
Exact Mass232.15
IUPAC Name2-methyl-2-(4-prop-1-en-2-ylphenoxy)oxane
SMILESC=C(C)c1ccc(OC2(C)CCCCO2)cc1
InChIInChI=1S/C15H20O2/c1-12(2)13-6-8-14(9-7-13)17-15(3)10-4-5-11-16-15/h6-9H,1,4-5,10-11H2,2-3H3
InChIKeyCIAQJNODVMMFHH-UHFFFAOYSA-N
XLogP4.02
TPSA18.46 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500232.32
LogP ≤ 54.02
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 2-methyl-2-(4-prop-1-en-2-ylphenoxy)oxane?
The IUPAC name of 2-methyl-2-(4-prop-1-en-2-ylphenoxy)oxane (CID 139750651) is 2-methyl-2-(4-prop-1-en-2-ylphenoxy)oxane.
What is the SMILES notation for 2-methyl-2-(4-prop-1-en-2-ylphenoxy)oxane?
The canonical SMILES for 2-methyl-2-(4-prop-1-en-2-ylphenoxy)oxane is C=C(C)c1ccc(OC2(C)CCCCO2)cc1.
What is the InChIKey of 2-methyl-2-(4-prop-1-en-2-ylphenoxy)oxane?
The InChIKey is CIAQJNODVMMFHH-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H20O2/c1-12(2)13-6-8-14(9-7-13)17-15(3)10-4-5-11-16-15/h6-9H,1,4-5,10-11H2,2-3H3.
What are the key properties of 2-methyl-2-(4-prop-1-en-2-ylphenoxy)oxane?
2-methyl-2-(4-prop-1-en-2-ylphenoxy)oxane has a molecular weight of 232.32 g/mol, XLogP of 4.02, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-2-(4-prop-1-en-2-ylphenoxy)oxane is sourced from PubChem (CID 139750651), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).