2-[[4-(ethenoxymethyl)cyclohexyl]methyl]oxirane

C12H20O2 — CID 123807812

IUPAC2-[[4-(ethenoxymethyl)cyclohexyl]methyl]oxirane
SMILESC=COCC1CCC(CC2CO2)CC1
InChIInChI=1S/C12H20O2/c1-2-13-8-11-5-3-10(4-6-11)7-12-9-14-12/h2,10-12H,1,3-9H2
InChIKeyRZCYDBWMVRTDNL-UHFFFAOYSA-N
MW196.29 g/mol
LogP2.74
Rot. Bonds5

About 2-[[4-(ethenoxymethyl)cyclohexyl]methyl]oxirane

2-[[4-(ethenoxymethyl)cyclohexyl]methyl]oxirane (PubChem CID 123807812) has the molecular formula C12H20O2 and a molecular weight of 196.29 g/mol. Its IUPAC name is 2-[[4-(ethenoxymethyl)cyclohexyl]methyl]oxirane.

Molecular Properties

Compound Name2-[[4-(ethenoxymethyl)cyclohexyl]methyl]oxirane
PubChem CID123807812
Molecular FormulaC12H20O2
Molecular Weight196.29 g/mol
Exact Mass196.15
IUPAC Name2-[[4-(ethenoxymethyl)cyclohexyl]methyl]oxirane
SMILESC=COCC1CCC(CC2CO2)CC1
InChIInChI=1S/C12H20O2/c1-2-13-8-11-5-3-10(4-6-11)7-12-9-14-12/h2,10-12H,1,3-9H2
InChIKeyRZCYDBWMVRTDNL-UHFFFAOYSA-N
XLogP2.74
TPSA21.76 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500196.29
LogP ≤ 52.74
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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Related Compounds

1-(ethenoxymethyl)-4-(methoxymethyl)cyclohexane
CID 22917925
[4-(ethenoxymethyl)cyclohexyl]methyl formate
CID 139924900
[4-(ethenoxymethyl)cyclohexyl]methanol;hydrate
CID 89350942
4-(ethenoxymethyl)thiane
CID 176603153
2-(2-ethenoxyethyl)oxirane
CID 54536432
4-(ethenoxymethyl)thiane 1-oxide
CID 176602942
(2R)-2-[[4-(oxiran-2-ylmethoxymethyl)cyclohexyl]methoxymethyl]oxirane
CID 88922210
2-[2-[2-[2-(2-ethenoxyethoxy)ethoxy]ethoxy]ethoxymethyl]oxirane
CID 15527223
1,4-bis(2-ethenoxyethoxymethyl)cyclohexane
CID 71370153
2-[[4-[2-[4-(oxiran-2-ylmethyl)cyclohexyl]propan-2-yl]cyclohexyl]methyl]oxirane
CID 22281012
[4-(ethenoxymethyl)cyclohexyl]methyl propanoate
CID 139924824
1-[4-(ethenoxymethyl)cyclohexyl]-2-methylbenzene
CID 174875456

Frequently Asked Questions

What is the IUPAC name of 2-[[4-(ethenoxymethyl)cyclohexyl]methyl]oxirane?
The IUPAC name of 2-[[4-(ethenoxymethyl)cyclohexyl]methyl]oxirane (CID 123807812) is 2-[[4-(ethenoxymethyl)cyclohexyl]methyl]oxirane.
What is the SMILES notation for 2-[[4-(ethenoxymethyl)cyclohexyl]methyl]oxirane?
The canonical SMILES for 2-[[4-(ethenoxymethyl)cyclohexyl]methyl]oxirane is C=COCC1CCC(CC2CO2)CC1.
What is the InChIKey of 2-[[4-(ethenoxymethyl)cyclohexyl]methyl]oxirane?
The InChIKey is RZCYDBWMVRTDNL-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H20O2/c1-2-13-8-11-5-3-10(4-6-11)7-12-9-14-12/h2,10-12H,1,3-9H2.
What are the key properties of 2-[[4-(ethenoxymethyl)cyclohexyl]methyl]oxirane?
2-[[4-(ethenoxymethyl)cyclohexyl]methyl]oxirane has a molecular weight of 196.29 g/mol, XLogP of 2.74, 5 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[4-(ethenoxymethyl)cyclohexyl]methyl]oxirane is sourced from PubChem (CID 123807812), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).