(2R,3R)-2-cyclohexyl-3-prop-2-enyloxirane

C11H18O — CID 10702225

IUPAC(2R,3R)-2-cyclohexyl-3-prop-2-enyloxirane
SMILESC=CC[C@H]1O[C@@H]1C1CCCCC1
InChIInChI=1S/C11H18O/c1-2-6-10-11(12-10)9-7-4-3-5-8-9/h2,9-11H,1,3-8H2/t10-,11-/m1/s1
InChIKeyZULFYVIDVIFGLD-GHMZBOCLSA-N
MW166.26 g/mol
LogP2.91
Rot. Bonds3

About (2R,3R)-2-cyclohexyl-3-prop-2-enyloxirane

(2R,3R)-2-cyclohexyl-3-prop-2-enyloxirane (PubChem CID 10702225) has the molecular formula C11H18O and a molecular weight of 166.26 g/mol. Its IUPAC name is (2R,3R)-2-cyclohexyl-3-prop-2-enyloxirane.

Molecular Properties

Compound Name(2R,3R)-2-cyclohexyl-3-prop-2-enyloxirane
PubChem CID10702225
Molecular FormulaC11H18O
Molecular Weight166.26 g/mol
Exact Mass166.14
IUPAC Name(2R,3R)-2-cyclohexyl-3-prop-2-enyloxirane
SMILESC=CC[C@H]1O[C@@H]1C1CCCCC1
InChIInChI=1S/C11H18O/c1-2-6-10-11(12-10)9-7-4-3-5-8-9/h2,9-11H,1,3-8H2/t10-,11-/m1/s1
InChIKeyZULFYVIDVIFGLD-GHMZBOCLSA-N
XLogP2.91
TPSA12.53 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500166.26
LogP ≤ 52.91
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of (2R,3R)-2-cyclohexyl-3-prop-2-enyloxirane?
The IUPAC name of (2R,3R)-2-cyclohexyl-3-prop-2-enyloxirane (CID 10702225) is (2R,3R)-2-cyclohexyl-3-prop-2-enyloxirane.
What is the SMILES notation for (2R,3R)-2-cyclohexyl-3-prop-2-enyloxirane?
The canonical SMILES for (2R,3R)-2-cyclohexyl-3-prop-2-enyloxirane is C=CC[C@H]1O[C@@H]1C1CCCCC1.
What is the InChIKey of (2R,3R)-2-cyclohexyl-3-prop-2-enyloxirane?
The InChIKey is ZULFYVIDVIFGLD-GHMZBOCLSA-N. The full InChI is InChI=1S/C11H18O/c1-2-6-10-11(12-10)9-7-4-3-5-8-9/h2,9-11H,1,3-8H2/t10-,11-/m1/s1.
What are the key properties of (2R,3R)-2-cyclohexyl-3-prop-2-enyloxirane?
(2R,3R)-2-cyclohexyl-3-prop-2-enyloxirane has a molecular weight of 166.26 g/mol, XLogP of 2.91, 3 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (2R,3R)-2-cyclohexyl-3-prop-2-enyloxirane is sourced from PubChem (CID 10702225), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).