2-[1-(cyclohexylidenemethoxy)ethyl]oxirane

C11H18O2 — CID 176604726

IUPAC2-[1-(cyclohexylidenemethoxy)ethyl]oxirane
SMILESCC(OC=C1CCCCC1)C1CO1
InChIInChI=1S/C11H18O2/c1-9(11-8-13-11)12-7-10-5-3-2-4-6-10/h7,9,11H,2-6,8H2,1H3
InChIKeyDUDSDXOFWFGPLH-UHFFFAOYSA-N
MW182.26 g/mol
LogP2.64
Rot. Bonds3

About 2-[1-(cyclohexylidenemethoxy)ethyl]oxirane

2-[1-(cyclohexylidenemethoxy)ethyl]oxirane (PubChem CID 176604726) has the molecular formula C11H18O2 and a molecular weight of 182.26 g/mol. Its IUPAC name is 2-[1-(cyclohexylidenemethoxy)ethyl]oxirane.

Molecular Properties

Compound Name2-[1-(cyclohexylidenemethoxy)ethyl]oxirane
PubChem CID176604726
Molecular FormulaC11H18O2
Molecular Weight182.26 g/mol
Exact Mass182.13
IUPAC Name2-[1-(cyclohexylidenemethoxy)ethyl]oxirane
SMILESCC(OC=C1CCCCC1)C1CO1
InChIInChI=1S/C11H18O2/c1-9(11-8-13-11)12-7-10-5-3-2-4-6-10/h7,9,11H,2-6,8H2,1H3
InChIKeyDUDSDXOFWFGPLH-UHFFFAOYSA-N
XLogP2.64
TPSA21.76 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500182.26
LogP ≤ 52.64
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'acyclic_C=C-O', '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-(cyclohexylidenemethoxy)ethyl]oxirane?
The IUPAC name of 2-[1-(cyclohexylidenemethoxy)ethyl]oxirane (CID 176604726) is 2-[1-(cyclohexylidenemethoxy)ethyl]oxirane.
What is the SMILES notation for 2-[1-(cyclohexylidenemethoxy)ethyl]oxirane?
The canonical SMILES for 2-[1-(cyclohexylidenemethoxy)ethyl]oxirane is CC(OC=C1CCCCC1)C1CO1.
What is the InChIKey of 2-[1-(cyclohexylidenemethoxy)ethyl]oxirane?
The InChIKey is DUDSDXOFWFGPLH-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H18O2/c1-9(11-8-13-11)12-7-10-5-3-2-4-6-10/h7,9,11H,2-6,8H2,1H3.
What are the key properties of 2-[1-(cyclohexylidenemethoxy)ethyl]oxirane?
2-[1-(cyclohexylidenemethoxy)ethyl]oxirane has a molecular weight of 182.26 g/mol, XLogP of 2.64, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[1-(cyclohexylidenemethoxy)ethyl]oxirane is sourced from PubChem (CID 176604726), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).