(2R,3S)-2-cyclohexyl-3-ethenyloxane

C13H22O — CID 134931451

IUPAC(2R,3S)-2-cyclohexyl-3-ethenyloxane
SMILESC=C[C@@H]1CCCO[C@@H]1C1CCCCC1
InChIInChI=1S/C13H22O/c1-2-11-9-6-10-14-13(11)12-7-4-3-5-8-12/h2,11-13H,1,3-10H2/t11-,13+/m1/s1
InChIKeyCOLOBJRHGLZKQS-YPMHNXCESA-N
MW194.32 g/mol
LogP3.55
Rot. Bonds2

About (2R,3S)-2-cyclohexyl-3-ethenyloxane

(2R,3S)-2-cyclohexyl-3-ethenyloxane (PubChem CID 134931451) has the molecular formula C13H22O and a molecular weight of 194.32 g/mol. Its IUPAC name is (2R,3S)-2-cyclohexyl-3-ethenyloxane.

Molecular Properties

Compound Name(2R,3S)-2-cyclohexyl-3-ethenyloxane
PubChem CID134931451
Molecular FormulaC13H22O
Molecular Weight194.32 g/mol
Exact Mass194.17
IUPAC Name(2R,3S)-2-cyclohexyl-3-ethenyloxane
SMILESC=C[C@@H]1CCCO[C@@H]1C1CCCCC1
InChIInChI=1S/C13H22O/c1-2-11-9-6-10-14-13(11)12-7-4-3-5-8-12/h2,11-13H,1,3-10H2/t11-,13+/m1/s1
InChIKeyCOLOBJRHGLZKQS-YPMHNXCESA-N
XLogP3.55
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500194.32
LogP ≤ 53.55
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 (2R,3S)-2-cyclohexyl-3-ethenyloxane?
The IUPAC name of (2R,3S)-2-cyclohexyl-3-ethenyloxane (CID 134931451) is (2R,3S)-2-cyclohexyl-3-ethenyloxane.
What is the SMILES notation for (2R,3S)-2-cyclohexyl-3-ethenyloxane?
The canonical SMILES for (2R,3S)-2-cyclohexyl-3-ethenyloxane is C=C[C@@H]1CCCO[C@@H]1C1CCCCC1.
What is the InChIKey of (2R,3S)-2-cyclohexyl-3-ethenyloxane?
The InChIKey is COLOBJRHGLZKQS-YPMHNXCESA-N. The full InChI is InChI=1S/C13H22O/c1-2-11-9-6-10-14-13(11)12-7-4-3-5-8-12/h2,11-13H,1,3-10H2/t11-,13+/m1/s1.
What are the key properties of (2R,3S)-2-cyclohexyl-3-ethenyloxane?
(2R,3S)-2-cyclohexyl-3-ethenyloxane has a molecular weight of 194.32 g/mol, XLogP of 3.55, 2 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (2R,3S)-2-cyclohexyl-3-ethenyloxane is sourced from PubChem (CID 134931451), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).