4-[(2,6-dimethylphenyl)methoxy]-2-methyloxolane

C14H20O2 — CID 21326645

IUPAC4-[(2,6-dimethylphenyl)methoxy]-2-methyloxolane
SMILESCc1cccc(C)c1COC1COC(C)C1
InChIInChI=1S/C14H20O2/c1-10-5-4-6-11(2)14(10)9-16-13-7-12(3)15-8-13/h4-6,12-13H,7-9H2,1-3H3
InChIKeyCKCWIIRBQVYKPE-UHFFFAOYSA-N
MW220.31 g/mol
LogP3.00
Rot. Bonds3

About 4-[(2,6-dimethylphenyl)methoxy]-2-methyloxolane

4-[(2,6-dimethylphenyl)methoxy]-2-methyloxolane (PubChem CID 21326645) has the molecular formula C14H20O2 and a molecular weight of 220.31 g/mol. Its IUPAC name is 4-[(2,6-dimethylphenyl)methoxy]-2-methyloxolane.

Molecular Properties

Compound Name4-[(2,6-dimethylphenyl)methoxy]-2-methyloxolane
PubChem CID21326645
Molecular FormulaC14H20O2
Molecular Weight220.31 g/mol
Exact Mass220.15
IUPAC Name4-[(2,6-dimethylphenyl)methoxy]-2-methyloxolane
SMILESCc1cccc(C)c1COC1COC(C)C1
InChIInChI=1S/C14H20O2/c1-10-5-4-6-11(2)14(10)9-16-13-7-12(3)15-8-13/h4-6,12-13H,7-9H2,1-3H3
InChIKeyCKCWIIRBQVYKPE-UHFFFAOYSA-N
XLogP3.00
TPSA18.46 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500220.31
LogP ≤ 53.00
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 4-[(2,6-dimethylphenyl)methoxy]-2-methyloxolane?
The IUPAC name of 4-[(2,6-dimethylphenyl)methoxy]-2-methyloxolane (CID 21326645) is 4-[(2,6-dimethylphenyl)methoxy]-2-methyloxolane.
What is the SMILES notation for 4-[(2,6-dimethylphenyl)methoxy]-2-methyloxolane?
The canonical SMILES for 4-[(2,6-dimethylphenyl)methoxy]-2-methyloxolane is Cc1cccc(C)c1COC1COC(C)C1.
What is the InChIKey of 4-[(2,6-dimethylphenyl)methoxy]-2-methyloxolane?
The InChIKey is CKCWIIRBQVYKPE-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H20O2/c1-10-5-4-6-11(2)14(10)9-16-13-7-12(3)15-8-13/h4-6,12-13H,7-9H2,1-3H3.
What are the key properties of 4-[(2,6-dimethylphenyl)methoxy]-2-methyloxolane?
4-[(2,6-dimethylphenyl)methoxy]-2-methyloxolane has a molecular weight of 220.31 g/mol, XLogP of 3.00, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(2,6-dimethylphenyl)methoxy]-2-methyloxolane is sourced from PubChem (CID 21326645), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).