(2R,6S)-2-butyl-6-phenyloxane

C15H22O — CID 131845672

IUPAC(2R,6S)-2-butyl-6-phenyloxane
SMILESCCCC[C@@H]1CCC[C@@H](c2ccccc2)O1
InChIInChI=1S/C15H22O/c1-2-3-10-14-11-7-12-15(16-14)13-8-5-4-6-9-13/h4-6,8-9,14-15H,2-3,7,10-12H2,1H3/t14-,15+/m1/s1
InChIKeyUSJZFWOZCWCULM-CABCVRRESA-N
MW218.34 g/mol
LogP4.49
Rot. Bonds4

About (2R,6S)-2-butyl-6-phenyloxane

(2R,6S)-2-butyl-6-phenyloxane (PubChem CID 131845672) has the molecular formula C15H22O and a molecular weight of 218.34 g/mol. Its IUPAC name is (2R,6S)-2-butyl-6-phenyloxane.

Molecular Properties

Compound Name(2R,6S)-2-butyl-6-phenyloxane
PubChem CID131845672
Molecular FormulaC15H22O
Molecular Weight218.34 g/mol
Exact Mass218.17
IUPAC Name(2R,6S)-2-butyl-6-phenyloxane
SMILESCCCC[C@@H]1CCC[C@@H](c2ccccc2)O1
InChIInChI=1S/C15H22O/c1-2-3-10-14-11-7-12-15(16-14)13-8-5-4-6-9-13/h4-6,8-9,14-15H,2-3,7,10-12H2,1H3/t14-,15+/m1/s1
InChIKeyUSJZFWOZCWCULM-CABCVRRESA-N
XLogP4.49
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500218.34
LogP ≤ 54.49
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of (2R,6S)-2-butyl-6-phenyloxane?
The IUPAC name of (2R,6S)-2-butyl-6-phenyloxane (CID 131845672) is (2R,6S)-2-butyl-6-phenyloxane.
What is the SMILES notation for (2R,6S)-2-butyl-6-phenyloxane?
The canonical SMILES for (2R,6S)-2-butyl-6-phenyloxane is CCCC[C@@H]1CCC[C@@H](c2ccccc2)O1.
What is the InChIKey of (2R,6S)-2-butyl-6-phenyloxane?
The InChIKey is USJZFWOZCWCULM-CABCVRRESA-N. The full InChI is InChI=1S/C15H22O/c1-2-3-10-14-11-7-12-15(16-14)13-8-5-4-6-9-13/h4-6,8-9,14-15H,2-3,7,10-12H2,1H3/t14-,15+/m1/s1.
What are the key properties of (2R,6S)-2-butyl-6-phenyloxane?
(2R,6S)-2-butyl-6-phenyloxane has a molecular weight of 218.34 g/mol, XLogP of 4.49, 4 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (2R,6S)-2-butyl-6-phenyloxane is sourced from PubChem (CID 131845672), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).