2-[(1-ethenylcyclohexyl)oxymethyl]oxirane

C11H18O2 — CID 23431528

IUPAC2-[(1-ethenylcyclohexyl)oxymethyl]oxirane
SMILESC=CC1(OCC2CO2)CCCCC1
InChIInChI=1S/C11H18O2/c1-2-11(6-4-3-5-7-11)13-9-10-8-12-10/h2,10H,1,3-9H2
InChIKeyWOKCCQVFLDLJEJ-UHFFFAOYSA-N
MW182.26 g/mol
LogP2.29
Rot. Bonds4

About 2-[(1-ethenylcyclohexyl)oxymethyl]oxirane

2-[(1-ethenylcyclohexyl)oxymethyl]oxirane (PubChem CID 23431528) has the molecular formula C11H18O2 and a molecular weight of 182.26 g/mol. Its IUPAC name is 2-[(1-ethenylcyclohexyl)oxymethyl]oxirane.

Molecular Properties

Compound Name2-[(1-ethenylcyclohexyl)oxymethyl]oxirane
PubChem CID23431528
Molecular FormulaC11H18O2
Molecular Weight182.26 g/mol
Exact Mass182.13
IUPAC Name2-[(1-ethenylcyclohexyl)oxymethyl]oxirane
SMILESC=CC1(OCC2CO2)CCCCC1
InChIInChI=1S/C11H18O2/c1-2-11(6-4-3-5-7-11)13-9-10-8-12-10/h2,10H,1,3-9H2
InChIKeyWOKCCQVFLDLJEJ-UHFFFAOYSA-N
XLogP2.29
TPSA21.76 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500182.26
LogP ≤ 52.29
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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-[(1-ethenylcyclohexyl)oxymethyl]oxirane?
The IUPAC name of 2-[(1-ethenylcyclohexyl)oxymethyl]oxirane (CID 23431528) is 2-[(1-ethenylcyclohexyl)oxymethyl]oxirane.
What is the SMILES notation for 2-[(1-ethenylcyclohexyl)oxymethyl]oxirane?
The canonical SMILES for 2-[(1-ethenylcyclohexyl)oxymethyl]oxirane is C=CC1(OCC2CO2)CCCCC1.
What is the InChIKey of 2-[(1-ethenylcyclohexyl)oxymethyl]oxirane?
The InChIKey is WOKCCQVFLDLJEJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H18O2/c1-2-11(6-4-3-5-7-11)13-9-10-8-12-10/h2,10H,1,3-9H2.
What are the key properties of 2-[(1-ethenylcyclohexyl)oxymethyl]oxirane?
2-[(1-ethenylcyclohexyl)oxymethyl]oxirane has a molecular weight of 182.26 g/mol, XLogP of 2.29, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(1-ethenylcyclohexyl)oxymethyl]oxirane is sourced from PubChem (CID 23431528), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).