2-[2-(oxiran-1-ium-2-yl)-5-(oxiran-2-yl)cyclohexyl]oxirane

C12H19O3+ — CID 163425462

IUPAC2-[2-(oxiran-1-ium-2-yl)-5-(oxiran-2-yl)cyclohexyl]oxirane
SMILESC1CC(C2C[OH+]2)C(C2CO2)CC1C1CO1
InChIInChI=1S/C12H18O3/c1-2-8(11-5-14-11)9(12-6-15-12)3-7(1)10-4-13-10/h7-12H,1-6H2/p+1
InChIKeyAMCGWKMFBGHJTF-UHFFFAOYSA-O
MW211.28 g/mol
LogP0.73
Rot. Bonds3

About 2-[2-(oxiran-1-ium-2-yl)-5-(oxiran-2-yl)cyclohexyl]oxirane

2-[2-(oxiran-1-ium-2-yl)-5-(oxiran-2-yl)cyclohexyl]oxirane (PubChem CID 163425462) has the molecular formula C12H19O3+ and a molecular weight of 211.28 g/mol. Its IUPAC name is 2-[2-(oxiran-1-ium-2-yl)-5-(oxiran-2-yl)cyclohexyl]oxirane.

Molecular Properties

Compound Name2-[2-(oxiran-1-ium-2-yl)-5-(oxiran-2-yl)cyclohexyl]oxirane
PubChem CID163425462
Molecular FormulaC12H19O3+
Molecular Weight211.28 g/mol
Exact Mass211.13
IUPAC Name2-[2-(oxiran-1-ium-2-yl)-5-(oxiran-2-yl)cyclohexyl]oxirane
SMILESC1CC(C2C[OH+]2)C(C2CO2)CC1C1CO1
InChIInChI=1S/C12H18O3/c1-2-8(11-5-14-11)9(12-6-15-12)3-7(1)10-4-13-10/h7-12H,1-6H2/p+1
InChIKeyAMCGWKMFBGHJTF-UHFFFAOYSA-O
XLogP0.73
TPSA37.86 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500211.28
LogP ≤ 50.73
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'charged_oxygen_or_sulfur_atoms', 'substructure': 'N/A'}, {'alert_name': 'Three-membered_heterocycle', 'substructure': 'N/A'}

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Related Compounds

2-[2,4-bis(oxiran-2-yl)cyclopentyl]oxirane
CID 90112010
2-oxatricyclo[5.4.0.04,8]undecane
CID 91210751
2-methoxy-4-(oxiran-2-yl)cyclohexan-1-ol
CID 23118753
2-(2-bicyclo[2.2.0]hexanyl)bicyclo[3.1.0]hexane
CID 152868631
(2S)-2-(4-methylcyclohexyl)oxirane
CID 146186873
2-methyl-4-(oxiran-2-yl)oxane
CID 126541590
3-(2-bicyclo[2.2.0]hexanyl)oxolane
CID 163700457
2-ethenyl-5-(oxiran-2-yl)oxane
CID 90471876
3,7-dimethyl-3,4,4a,5,6,7,8,8a-octahydro-2H-chromene
CID 58839769
7-cyclopropyl-9-(oxiran-2-yl)-3-oxatricyclo[4.3.0.02,4]nonane
CID 121458537
2-ethyl-5-(oxiran-2-yl)cyclohexan-1-ol
CID 162758443
2-(3-methylcyclopentyl)oxirane;3-methyl-6-thiabicyclo[3.1.0]hexane
CID 143018600

Frequently Asked Questions

What is the IUPAC name of 2-[2-(oxiran-1-ium-2-yl)-5-(oxiran-2-yl)cyclohexyl]oxirane?
The IUPAC name of 2-[2-(oxiran-1-ium-2-yl)-5-(oxiran-2-yl)cyclohexyl]oxirane (CID 163425462) is 2-[2-(oxiran-1-ium-2-yl)-5-(oxiran-2-yl)cyclohexyl]oxirane.
What is the SMILES notation for 2-[2-(oxiran-1-ium-2-yl)-5-(oxiran-2-yl)cyclohexyl]oxirane?
The canonical SMILES for 2-[2-(oxiran-1-ium-2-yl)-5-(oxiran-2-yl)cyclohexyl]oxirane is C1CC(C2C[OH+]2)C(C2CO2)CC1C1CO1.
What is the InChIKey of 2-[2-(oxiran-1-ium-2-yl)-5-(oxiran-2-yl)cyclohexyl]oxirane?
The InChIKey is AMCGWKMFBGHJTF-UHFFFAOYSA-O. The full InChI is InChI=1S/C12H18O3/c1-2-8(11-5-14-11)9(12-6-15-12)3-7(1)10-4-13-10/h7-12H,1-6H2/p+1.
What are the key properties of 2-[2-(oxiran-1-ium-2-yl)-5-(oxiran-2-yl)cyclohexyl]oxirane?
2-[2-(oxiran-1-ium-2-yl)-5-(oxiran-2-yl)cyclohexyl]oxirane has a molecular weight of 211.28 g/mol, XLogP of 0.73, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-(oxiran-1-ium-2-yl)-5-(oxiran-2-yl)cyclohexyl]oxirane is sourced from PubChem (CID 163425462), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).