2-[3-(cyclohexylidenemethoxy)propyl]-2-ethyloxirane

C14H24O2 — CID 176605163

IUPAC2-[3-(cyclohexylidenemethoxy)propyl]-2-ethyloxirane
SMILESCCC1(CCCOC=C2CCCCC2)CO1
InChIInChI=1S/C14H24O2/c1-2-14(12-16-14)9-6-10-15-11-13-7-4-3-5-8-13/h11H,2-10,12H2,1H3
InChIKeyBMCOGKNQOFUGHC-UHFFFAOYSA-N
MW224.34 g/mol
LogP3.81
Rot. Bonds6

About 2-[3-(cyclohexylidenemethoxy)propyl]-2-ethyloxirane

2-[3-(cyclohexylidenemethoxy)propyl]-2-ethyloxirane (PubChem CID 176605163) has the molecular formula C14H24O2 and a molecular weight of 224.34 g/mol. Its IUPAC name is 2-[3-(cyclohexylidenemethoxy)propyl]-2-ethyloxirane.

Molecular Properties

Compound Name2-[3-(cyclohexylidenemethoxy)propyl]-2-ethyloxirane
PubChem CID176605163
Molecular FormulaC14H24O2
Molecular Weight224.34 g/mol
Exact Mass224.18
IUPAC Name2-[3-(cyclohexylidenemethoxy)propyl]-2-ethyloxirane
SMILESCCC1(CCCOC=C2CCCCC2)CO1
InChIInChI=1S/C14H24O2/c1-2-14(12-16-14)9-6-10-15-11-13-7-4-3-5-8-13/h11H,2-10,12H2,1H3
InChIKeyBMCOGKNQOFUGHC-UHFFFAOYSA-N
XLogP3.81
TPSA21.76 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500224.34
LogP ≤ 53.81
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'acyclic_C=C-O', 'substructure': 'N/A'}, {'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'Three-membered_heterocycle', 'substructure': 'N/A'}

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Related Compounds

6-[2-(2-Ethyloxiran-2-yl)ethyl]-3,4-dihydro-2H-pyran
CID 13237179
2-Ethyl-2-[3-(2-methylprop-1-enoxy)propyl]oxirane
CID 150544683
2-[3-(Cyclopentylidenemethoxy)propyl]-2-ethyloxirane
CID 176603351
2-[2-(Cyclohexylidenemethoxy)ethyl]-2-methyloxirane
CID 176604518
2-[3-(Cyclohexylidenemethoxy)propyl]oxirane
CID 176605059

Frequently Asked Questions

What is the IUPAC name of 2-[3-(cyclohexylidenemethoxy)propyl]-2-ethyloxirane?
The IUPAC name of 2-[3-(cyclohexylidenemethoxy)propyl]-2-ethyloxirane (CID 176605163) is 2-[3-(cyclohexylidenemethoxy)propyl]-2-ethyloxirane.
What is the SMILES notation for 2-[3-(cyclohexylidenemethoxy)propyl]-2-ethyloxirane?
The canonical SMILES for 2-[3-(cyclohexylidenemethoxy)propyl]-2-ethyloxirane is CCC1(CCCOC=C2CCCCC2)CO1.
What is the InChIKey of 2-[3-(cyclohexylidenemethoxy)propyl]-2-ethyloxirane?
The InChIKey is BMCOGKNQOFUGHC-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H24O2/c1-2-14(12-16-14)9-6-10-15-11-13-7-4-3-5-8-13/h11H,2-10,12H2,1H3.
What are the key properties of 2-[3-(cyclohexylidenemethoxy)propyl]-2-ethyloxirane?
2-[3-(cyclohexylidenemethoxy)propyl]-2-ethyloxirane has a molecular weight of 224.34 g/mol, XLogP of 3.81, 6 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[3-(cyclohexylidenemethoxy)propyl]-2-ethyloxirane is sourced from PubChem (CID 176605163), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).