(2S,6S)-2-[(E)-2-cyclohexylethenyl]-2,6-dimethyloxane

C15H26O — CID 16726276

IUPAC(2S,6S)-2-[(E)-2-cyclohexylethenyl]-2,6-dimethyloxane
SMILESC[C@H]1CCC[C@@](C)(/C=C/C2CCCCC2)O1
InChIInChI=1S/C15H26O/c1-13-7-6-11-15(2,16-13)12-10-14-8-4-3-5-9-14/h10,12-14H,3-9,11H2,1-2H3/b12-10+/t13-,15-/m0/s1
InChIKeyPLGWBXJRYXEXMU-PYHCZJRBSA-N
MW222.37 g/mol
LogP4.47
Rot. Bonds2

About (2S,6S)-2-[(E)-2-cyclohexylethenyl]-2,6-dimethyloxane

(2S,6S)-2-[(E)-2-cyclohexylethenyl]-2,6-dimethyloxane (PubChem CID 16726276) has the molecular formula C15H26O and a molecular weight of 222.37 g/mol. Its IUPAC name is (2S,6S)-2-[(E)-2-cyclohexylethenyl]-2,6-dimethyloxane.

Molecular Properties

Compound Name(2S,6S)-2-[(E)-2-cyclohexylethenyl]-2,6-dimethyloxane
PubChem CID16726276
Molecular FormulaC15H26O
Molecular Weight222.37 g/mol
Exact Mass222.20
IUPAC Name(2S,6S)-2-[(E)-2-cyclohexylethenyl]-2,6-dimethyloxane
SMILESC[C@H]1CCC[C@@](C)(/C=C/C2CCCCC2)O1
InChIInChI=1S/C15H26O/c1-13-7-6-11-15(2,16-13)12-10-14-8-4-3-5-9-14/h10,12-14H,3-9,11H2,1-2H3/b12-10+/t13-,15-/m0/s1
InChIKeyPLGWBXJRYXEXMU-PYHCZJRBSA-N
XLogP4.47
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500222.37
LogP ≤ 54.47
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of (2S,6S)-2-[(E)-2-cyclohexylethenyl]-2,6-dimethyloxane?
The IUPAC name of (2S,6S)-2-[(E)-2-cyclohexylethenyl]-2,6-dimethyloxane (CID 16726276) is (2S,6S)-2-[(E)-2-cyclohexylethenyl]-2,6-dimethyloxane.
What is the SMILES notation for (2S,6S)-2-[(E)-2-cyclohexylethenyl]-2,6-dimethyloxane?
The canonical SMILES for (2S,6S)-2-[(E)-2-cyclohexylethenyl]-2,6-dimethyloxane is C[C@H]1CCC[C@@](C)(/C=C/C2CCCCC2)O1.
What is the InChIKey of (2S,6S)-2-[(E)-2-cyclohexylethenyl]-2,6-dimethyloxane?
The InChIKey is PLGWBXJRYXEXMU-PYHCZJRBSA-N. The full InChI is InChI=1S/C15H26O/c1-13-7-6-11-15(2,16-13)12-10-14-8-4-3-5-9-14/h10,12-14H,3-9,11H2,1-2H3/b12-10+/t13-,15-/m0/s1.
What are the key properties of (2S,6S)-2-[(E)-2-cyclohexylethenyl]-2,6-dimethyloxane?
(2S,6S)-2-[(E)-2-cyclohexylethenyl]-2,6-dimethyloxane has a molecular weight of 222.37 g/mol, XLogP of 4.47, 2 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (2S,6S)-2-[(E)-2-cyclohexylethenyl]-2,6-dimethyloxane is sourced from PubChem (CID 16726276), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).