2-[2-(cyclohexylidenemethoxy)ethyl]-2-methyloxirane

C12H20O2 — CID 176604518

IUPAC2-[2-(cyclohexylidenemethoxy)ethyl]-2-methyloxirane
SMILESCC1(CCOC=C2CCCCC2)CO1
InChIInChI=1S/C12H20O2/c1-12(10-14-12)7-8-13-9-11-5-3-2-4-6-11/h9H,2-8,10H2,1H3
InChIKeyDQYLEGZBPWHTJM-UHFFFAOYSA-N
MW196.29 g/mol
LogP3.03
Rot. Bonds4

About 2-[2-(cyclohexylidenemethoxy)ethyl]-2-methyloxirane

2-[2-(cyclohexylidenemethoxy)ethyl]-2-methyloxirane (PubChem CID 176604518) has the molecular formula C12H20O2 and a molecular weight of 196.29 g/mol. Its IUPAC name is 2-[2-(cyclohexylidenemethoxy)ethyl]-2-methyloxirane.

Molecular Properties

Compound Name2-[2-(cyclohexylidenemethoxy)ethyl]-2-methyloxirane
PubChem CID176604518
Molecular FormulaC12H20O2
Molecular Weight196.29 g/mol
Exact Mass196.15
IUPAC Name2-[2-(cyclohexylidenemethoxy)ethyl]-2-methyloxirane
SMILESCC1(CCOC=C2CCCCC2)CO1
InChIInChI=1S/C12H20O2/c1-12(10-14-12)7-8-13-9-11-5-3-2-4-6-11/h9H,2-8,10H2,1H3
InChIKeyDQYLEGZBPWHTJM-UHFFFAOYSA-N
XLogP3.03
TPSA21.76 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500196.29
LogP ≤ 53.03
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

2-[2-(Cyclohexylidenemethoxy)ethyl]oxirane
CID 176603494
2-(Cyclohexylidenemethoxymethyl)-2-methyloxirane
CID 176604430
2-(Cyclohexylidenemethoxymethyl)-2-ethyloxirane
CID 176604663
2-[1-(Cyclohexylidenemethoxy)ethyl]oxirane
CID 176604726
2-[2-(Cyclopentylidenemethoxy)ethyl]-2-methyloxirane
CID 176605073
2-[3-(Cyclohexylidenemethoxy)propyl]-2-ethyloxirane
CID 176605163

Frequently Asked Questions

What is the IUPAC name of 2-[2-(cyclohexylidenemethoxy)ethyl]-2-methyloxirane?
The IUPAC name of 2-[2-(cyclohexylidenemethoxy)ethyl]-2-methyloxirane (CID 176604518) is 2-[2-(cyclohexylidenemethoxy)ethyl]-2-methyloxirane.
What is the SMILES notation for 2-[2-(cyclohexylidenemethoxy)ethyl]-2-methyloxirane?
The canonical SMILES for 2-[2-(cyclohexylidenemethoxy)ethyl]-2-methyloxirane is CC1(CCOC=C2CCCCC2)CO1.
What is the InChIKey of 2-[2-(cyclohexylidenemethoxy)ethyl]-2-methyloxirane?
The InChIKey is DQYLEGZBPWHTJM-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H20O2/c1-12(10-14-12)7-8-13-9-11-5-3-2-4-6-11/h9H,2-8,10H2,1H3.
What are the key properties of 2-[2-(cyclohexylidenemethoxy)ethyl]-2-methyloxirane?
2-[2-(cyclohexylidenemethoxy)ethyl]-2-methyloxirane has a molecular weight of 196.29 g/mol, XLogP of 3.03, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-(cyclohexylidenemethoxy)ethyl]-2-methyloxirane is sourced from PubChem (CID 176604518), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).