(2R,6S)-2-methyl-6-(2,4,6-trimethylphenyl)oxane

C15H22O — CID 102315276

IUPAC(2R,6S)-2-methyl-6-(2,4,6-trimethylphenyl)oxane
SMILESCc1cc(C)c([C@@H]2CCC[C@@H](C)O2)c(C)c1
InChIInChI=1S/C15H22O/c1-10-8-11(2)15(12(3)9-10)14-7-5-6-13(4)16-14/h8-9,13-14H,5-7H2,1-4H3/t13-,14+/m1/s1
InChIKeyORRRAOSEHVZDGE-KGLIPLIRSA-N
MW218.34 g/mol
LogP4.24
Rot. Bonds1

About (2R,6S)-2-methyl-6-(2,4,6-trimethylphenyl)oxane

(2R,6S)-2-methyl-6-(2,4,6-trimethylphenyl)oxane (PubChem CID 102315276) has the molecular formula C15H22O and a molecular weight of 218.34 g/mol. Its IUPAC name is (2R,6S)-2-methyl-6-(2,4,6-trimethylphenyl)oxane.

Molecular Properties

Compound Name(2R,6S)-2-methyl-6-(2,4,6-trimethylphenyl)oxane
PubChem CID102315276
Molecular FormulaC15H22O
Molecular Weight218.34 g/mol
Exact Mass218.17
IUPAC Name(2R,6S)-2-methyl-6-(2,4,6-trimethylphenyl)oxane
SMILESCc1cc(C)c([C@@H]2CCC[C@@H](C)O2)c(C)c1
InChIInChI=1S/C15H22O/c1-10-8-11(2)15(12(3)9-10)14-7-5-6-13(4)16-14/h8-9,13-14H,5-7H2,1-4H3/t13-,14+/m1/s1
InChIKeyORRRAOSEHVZDGE-KGLIPLIRSA-N
XLogP4.24
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500218.34
LogP ≤ 54.24
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of (2R,6S)-2-methyl-6-(2,4,6-trimethylphenyl)oxane?
The IUPAC name of (2R,6S)-2-methyl-6-(2,4,6-trimethylphenyl)oxane (CID 102315276) is (2R,6S)-2-methyl-6-(2,4,6-trimethylphenyl)oxane.
What is the SMILES notation for (2R,6S)-2-methyl-6-(2,4,6-trimethylphenyl)oxane?
The canonical SMILES for (2R,6S)-2-methyl-6-(2,4,6-trimethylphenyl)oxane is Cc1cc(C)c([C@@H]2CCC[C@@H](C)O2)c(C)c1.
What is the InChIKey of (2R,6S)-2-methyl-6-(2,4,6-trimethylphenyl)oxane?
The InChIKey is ORRRAOSEHVZDGE-KGLIPLIRSA-N. The full InChI is InChI=1S/C15H22O/c1-10-8-11(2)15(12(3)9-10)14-7-5-6-13(4)16-14/h8-9,13-14H,5-7H2,1-4H3/t13-,14+/m1/s1.
What are the key properties of (2R,6S)-2-methyl-6-(2,4,6-trimethylphenyl)oxane?
(2R,6S)-2-methyl-6-(2,4,6-trimethylphenyl)oxane has a molecular weight of 218.34 g/mol, XLogP of 4.24, 1 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (2R,6S)-2-methyl-6-(2,4,6-trimethylphenyl)oxane is sourced from PubChem (CID 102315276), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).