(3R)-2-ethyl-3-methyl-4-(2-methylphenoxy)oxane

C15H22O2 — CID 59074658

IUPAC(3R)-2-ethyl-3-methyl-4-(2-methylphenoxy)oxane
SMILESCCC1OCCC(Oc2ccccc2C)[C@@H]1C
InChIInChI=1S/C15H22O2/c1-4-13-12(3)15(9-10-16-13)17-14-8-6-5-7-11(14)2/h5-8,12-13,15H,4,9-10H2,1-3H3/t12-,13?,15?/m1/s1
InChIKeyBPPKZQNEJIEWOF-DNOWBOINSA-N
MW234.34 g/mol
LogP3.58
Rot. Bonds3

About (3R)-2-ethyl-3-methyl-4-(2-methylphenoxy)oxane

(3R)-2-ethyl-3-methyl-4-(2-methylphenoxy)oxane (PubChem CID 59074658) has the molecular formula C15H22O2 and a molecular weight of 234.34 g/mol. Its IUPAC name is (3R)-2-ethyl-3-methyl-4-(2-methylphenoxy)oxane.

Molecular Properties

Compound Name(3R)-2-ethyl-3-methyl-4-(2-methylphenoxy)oxane
PubChem CID59074658
Molecular FormulaC15H22O2
Molecular Weight234.34 g/mol
Exact Mass234.16
IUPAC Name(3R)-2-ethyl-3-methyl-4-(2-methylphenoxy)oxane
SMILESCCC1OCCC(Oc2ccccc2C)[C@@H]1C
InChIInChI=1S/C15H22O2/c1-4-13-12(3)15(9-10-16-13)17-14-8-6-5-7-11(14)2/h5-8,12-13,15H,4,9-10H2,1-3H3/t12-,13?,15?/m1/s1
InChIKeyBPPKZQNEJIEWOF-DNOWBOINSA-N
XLogP3.58
TPSA18.46 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500234.34
LogP ≤ 53.58
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of (3R)-2-ethyl-3-methyl-4-(2-methylphenoxy)oxane?
The IUPAC name of (3R)-2-ethyl-3-methyl-4-(2-methylphenoxy)oxane (CID 59074658) is (3R)-2-ethyl-3-methyl-4-(2-methylphenoxy)oxane.
What is the SMILES notation for (3R)-2-ethyl-3-methyl-4-(2-methylphenoxy)oxane?
The canonical SMILES for (3R)-2-ethyl-3-methyl-4-(2-methylphenoxy)oxane is CCC1OCCC(Oc2ccccc2C)[C@@H]1C.
What is the InChIKey of (3R)-2-ethyl-3-methyl-4-(2-methylphenoxy)oxane?
The InChIKey is BPPKZQNEJIEWOF-DNOWBOINSA-N. The full InChI is InChI=1S/C15H22O2/c1-4-13-12(3)15(9-10-16-13)17-14-8-6-5-7-11(14)2/h5-8,12-13,15H,4,9-10H2,1-3H3/t12-,13?,15?/m1/s1.
What are the key properties of (3R)-2-ethyl-3-methyl-4-(2-methylphenoxy)oxane?
(3R)-2-ethyl-3-methyl-4-(2-methylphenoxy)oxane has a molecular weight of 234.34 g/mol, XLogP of 3.58, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (3R)-2-ethyl-3-methyl-4-(2-methylphenoxy)oxane is sourced from PubChem (CID 59074658), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).