4-[(2,6-dimethylphenyl)methoxy]-2-(methoxymethyl)oxolane

C15H22O3 — CID 21326654

IUPAC4-[(2,6-dimethylphenyl)methoxy]-2-(methoxymethyl)oxolane
SMILESCOCC1CC(OCc2c(C)cccc2C)CO1
InChIInChI=1S/C15H22O3/c1-11-5-4-6-12(2)15(11)10-18-14-7-13(8-16-3)17-9-14/h4-6,13-14H,7-10H2,1-3H3
InChIKeyVTQLQFQISQYRBA-UHFFFAOYSA-N
MW250.34 g/mol
LogP2.62
Rot. Bonds5

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

4-[(2,6-dimethylphenyl)methoxy]-2-(methoxymethyl)oxolane (PubChem CID 21326654) has the molecular formula C15H22O3 and a molecular weight of 250.34 g/mol. Its IUPAC name is 4-[(2,6-dimethylphenyl)methoxy]-2-(methoxymethyl)oxolane.

Molecular Properties

Compound Name4-[(2,6-dimethylphenyl)methoxy]-2-(methoxymethyl)oxolane
PubChem CID21326654
Molecular FormulaC15H22O3
Molecular Weight250.34 g/mol
Exact Mass250.16
IUPAC Name4-[(2,6-dimethylphenyl)methoxy]-2-(methoxymethyl)oxolane
SMILESCOCC1CC(OCc2c(C)cccc2C)CO1
InChIInChI=1S/C15H22O3/c1-11-5-4-6-12(2)15(11)10-18-14-7-13(8-16-3)17-9-14/h4-6,13-14H,7-10H2,1-3H3
InChIKeyVTQLQFQISQYRBA-UHFFFAOYSA-N
XLogP2.62
TPSA27.69 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500250.34
LogP ≤ 52.62
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 4-[(2,6-dimethylphenyl)methoxy]-2-(methoxymethyl)oxolane?
The IUPAC name of 4-[(2,6-dimethylphenyl)methoxy]-2-(methoxymethyl)oxolane (CID 21326654) is 4-[(2,6-dimethylphenyl)methoxy]-2-(methoxymethyl)oxolane.
What is the SMILES notation for 4-[(2,6-dimethylphenyl)methoxy]-2-(methoxymethyl)oxolane?
The canonical SMILES for 4-[(2,6-dimethylphenyl)methoxy]-2-(methoxymethyl)oxolane is COCC1CC(OCc2c(C)cccc2C)CO1.
What is the InChIKey of 4-[(2,6-dimethylphenyl)methoxy]-2-(methoxymethyl)oxolane?
The InChIKey is VTQLQFQISQYRBA-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H22O3/c1-11-5-4-6-12(2)15(11)10-18-14-7-13(8-16-3)17-9-14/h4-6,13-14H,7-10H2,1-3H3.
What are the key properties of 4-[(2,6-dimethylphenyl)methoxy]-2-(methoxymethyl)oxolane?
4-[(2,6-dimethylphenyl)methoxy]-2-(methoxymethyl)oxolane has a molecular weight of 250.34 g/mol, XLogP of 2.62, 5 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(2,6-dimethylphenyl)methoxy]-2-(methoxymethyl)oxolane is sourced from PubChem (CID 21326654), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).