(2R,3R)-2-cyclohexyl-3-ethenyloxirane

C10H16O — CID 12669134

IUPAC(2R,3R)-2-cyclohexyl-3-ethenyloxirane
SMILESC=C[C@H]1O[C@@H]1C1CCCCC1
InChIInChI=1S/C10H16O/c1-2-9-10(11-9)8-6-4-3-5-7-8/h2,8-10H,1,3-7H2/t9-,10-/m1/s1
InChIKeyBHPPRTJUJLRXEZ-NXEZZACHSA-N
MW152.24 g/mol
LogP2.52
Rot. Bonds2

About (2R,3R)-2-cyclohexyl-3-ethenyloxirane

(2R,3R)-2-cyclohexyl-3-ethenyloxirane (PubChem CID 12669134) has the molecular formula C10H16O and a molecular weight of 152.24 g/mol. Its IUPAC name is (2R,3R)-2-cyclohexyl-3-ethenyloxirane.

Molecular Properties

Compound Name(2R,3R)-2-cyclohexyl-3-ethenyloxirane
PubChem CID12669134
Molecular FormulaC10H16O
Molecular Weight152.24 g/mol
Exact Mass152.12
IUPAC Name(2R,3R)-2-cyclohexyl-3-ethenyloxirane
SMILESC=C[C@H]1O[C@@H]1C1CCCCC1
InChIInChI=1S/C10H16O/c1-2-9-10(11-9)8-6-4-3-5-7-8/h2,8-10H,1,3-7H2/t9-,10-/m1/s1
InChIKeyBHPPRTJUJLRXEZ-NXEZZACHSA-N
XLogP2.52
TPSA12.53 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500152.24
LogP ≤ 52.52
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-ethenyloxirane?
The IUPAC name of (2R,3R)-2-cyclohexyl-3-ethenyloxirane (CID 12669134) is (2R,3R)-2-cyclohexyl-3-ethenyloxirane.
What is the SMILES notation for (2R,3R)-2-cyclohexyl-3-ethenyloxirane?
The canonical SMILES for (2R,3R)-2-cyclohexyl-3-ethenyloxirane is C=C[C@H]1O[C@@H]1C1CCCCC1.
What is the InChIKey of (2R,3R)-2-cyclohexyl-3-ethenyloxirane?
The InChIKey is BHPPRTJUJLRXEZ-NXEZZACHSA-N. The full InChI is InChI=1S/C10H16O/c1-2-9-10(11-9)8-6-4-3-5-7-8/h2,8-10H,1,3-7H2/t9-,10-/m1/s1.
What are the key properties of (2R,3R)-2-cyclohexyl-3-ethenyloxirane?
(2R,3R)-2-cyclohexyl-3-ethenyloxirane has a molecular weight of 152.24 g/mol, XLogP of 2.52, 2 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-ethenyloxirane is sourced from PubChem (CID 12669134), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).