2-cyclohexyl-3-[(E)-prop-1-enyl]oxirane

C11H18O — CID 134858371

IUPAC2-cyclohexyl-3-[(E)-prop-1-enyl]oxirane
SMILESC/C=C/C1OC1C1CCCCC1
InChIInChI=1S/C11H18O/c1-2-6-10-11(12-10)9-7-4-3-5-8-9/h2,6,9-11H,3-5,7-8H2,1H3/b6-2+
InChIKeySSQICAVCBLWLAY-QHHAFSJGSA-N
MW166.26 g/mol
LogP2.91
Rot. Bonds2

About 2-cyclohexyl-3-[(E)-prop-1-enyl]oxirane

2-cyclohexyl-3-[(E)-prop-1-enyl]oxirane (PubChem CID 134858371) has the molecular formula C11H18O and a molecular weight of 166.26 g/mol. Its IUPAC name is 2-cyclohexyl-3-[(E)-prop-1-enyl]oxirane.

Molecular Properties

Compound Name2-cyclohexyl-3-[(E)-prop-1-enyl]oxirane
PubChem CID134858371
Molecular FormulaC11H18O
Molecular Weight166.26 g/mol
Exact Mass166.14
IUPAC Name2-cyclohexyl-3-[(E)-prop-1-enyl]oxirane
SMILESC/C=C/C1OC1C1CCCCC1
InChIInChI=1S/C11H18O/c1-2-6-10-11(12-10)9-7-4-3-5-8-9/h2,6,9-11H,3-5,7-8H2,1H3/b6-2+
InChIKeySSQICAVCBLWLAY-QHHAFSJGSA-N
XLogP2.91
TPSA12.53 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds2
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 2-cyclohexyl-3-[(E)-prop-1-enyl]oxirane?
The IUPAC name of 2-cyclohexyl-3-[(E)-prop-1-enyl]oxirane (CID 134858371) is 2-cyclohexyl-3-[(E)-prop-1-enyl]oxirane.
What is the SMILES notation for 2-cyclohexyl-3-[(E)-prop-1-enyl]oxirane?
The canonical SMILES for 2-cyclohexyl-3-[(E)-prop-1-enyl]oxirane is C/C=C/C1OC1C1CCCCC1.
What is the InChIKey of 2-cyclohexyl-3-[(E)-prop-1-enyl]oxirane?
The InChIKey is SSQICAVCBLWLAY-QHHAFSJGSA-N. The full InChI is InChI=1S/C11H18O/c1-2-6-10-11(12-10)9-7-4-3-5-8-9/h2,6,9-11H,3-5,7-8H2,1H3/b6-2+.
What are the key properties of 2-cyclohexyl-3-[(E)-prop-1-enyl]oxirane?
2-cyclohexyl-3-[(E)-prop-1-enyl]oxirane has a molecular weight of 166.26 g/mol, XLogP of 2.91, 2 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-cyclohexyl-3-[(E)-prop-1-enyl]oxirane is sourced from PubChem (CID 134858371), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).