2-[[3-ethyl-4-[[2-ethyl-4-(oxiran-2-ylmethoxy)cyclohexyl]methyl]cyclohexyl]oxymethyl]oxirane

C23H40O4 — CID 139990267

IUPAC2-[[3-ethyl-4-[[2-ethyl-4-(oxiran-2-ylmethoxy)cyclohexyl]methyl]cyclohexyl]oxymethyl]oxirane
SMILESCCC1CC(OCC2CO2)CCC1CC1CCC(OCC2CO2)CC1CC
InChIInChI=1S/C23H40O4/c1-3-16-10-20(24-12-22-14-26-22)7-5-18(16)9-19-6-8-21(11-17(19)4-2)25-13-23-15-27-23/h16-23H,3-15H2,1-2H3
InChIKeyZDUAXZRKIOYXOS-UHFFFAOYSA-N
MW380.57 g/mol
LogP4.60
Rot. Bonds10

About 2-[[3-ethyl-4-[[2-ethyl-4-(oxiran-2-ylmethoxy)cyclohexyl]methyl]cyclohexyl]oxymethyl]oxirane

2-[[3-ethyl-4-[[2-ethyl-4-(oxiran-2-ylmethoxy)cyclohexyl]methyl]cyclohexyl]oxymethyl]oxirane (PubChem CID 139990267) has the molecular formula C23H40O4 and a molecular weight of 380.57 g/mol. Its IUPAC name is 2-[[3-ethyl-4-[[2-ethyl-4-(oxiran-2-ylmethoxy)cyclohexyl]methyl]cyclohexyl]oxymethyl]oxirane.

Molecular Properties

Compound Name2-[[3-ethyl-4-[[2-ethyl-4-(oxiran-2-ylmethoxy)cyclohexyl]methyl]cyclohexyl]oxymethyl]oxirane
PubChem CID139990267
Molecular FormulaC23H40O4
Molecular Weight380.57 g/mol
Exact Mass380.29
IUPAC Name2-[[3-ethyl-4-[[2-ethyl-4-(oxiran-2-ylmethoxy)cyclohexyl]methyl]cyclohexyl]oxymethyl]oxirane
SMILESCCC1CC(OCC2CO2)CCC1CC1CCC(OCC2CO2)CC1CC
InChIInChI=1S/C23H40O4/c1-3-16-10-20(24-12-22-14-26-22)7-5-18(16)9-19-6-8-21(11-17(19)4-2)25-13-23-15-27-23/h16-23H,3-15H2,1-2H3
InChIKeyZDUAXZRKIOYXOS-UHFFFAOYSA-N
XLogP4.60
TPSA43.52 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds10
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500380.57
LogP ≤ 54.60
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

Analyze 2-[[3-ethyl-4-[[2-ethyl-4-(oxiran-2-ylmethoxy)cyclohexyl]methyl]cyclohexyl]oxymethyl]oxirane with MolForge

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Related Compounds

2-[[3,4-bis(oxiran-2-ylmethyl)cyclohexyl]oxymethyl]oxirane;methanamine
CID 174996449
2-[(2-ethylcyclohexyl)methyl]oxirane;2-[(2-ethylcyclohexyl)oxymethyl]oxirane
CID 159077694
2-[[4-(4-propylcyclohexyl)cyclohexyl]oxymethyl]oxirane
CID 58895347
2-[[4-(methoxymethyl)cyclohexyl]oxymethyl]oxirane
CID 167078198
(1S,5S)-8-methyl-3-[[(2R)-oxiran-2-yl]methoxy]-8-azabicyclo[3.2.1]octane
CID 124554723
3-(oxiran-2-ylmethoxy)cyclohexan-1-ol
CID 118671193
2-[3-(oxiran-2-ylmethoxy)cyclopentyl]oxyethanesulfonic acid
CID 165102212
2-(4-tricyclo[5.2.1.02,6]decanyloxymethyl)oxirane
CID 58519968
2-[[4-[2-[4-[1,1-bis[4-(oxiran-2-ylmethoxy)cyclohexyl]ethyl]cyclohexyl]propan-2-yl]cyclohexyl]oxymethyl]oxirane
CID 118282146
4-[2-[4-(oxiran-2-ylmethoxy)cyclohexyl]propan-2-yl]cyclohexan-1-ol
CID 89323282
2,2,6,6-tetramethyl-1-oxido-4-(oxiran-2-ylmethoxy)piperidine
CID 14274507
2-(ethylperoxymethyl)oxirane
CID 134589509

Frequently Asked Questions

What is the IUPAC name of 2-[[3-ethyl-4-[[2-ethyl-4-(oxiran-2-ylmethoxy)cyclohexyl]methyl]cyclohexyl]oxymethyl]oxirane?
The IUPAC name of 2-[[3-ethyl-4-[[2-ethyl-4-(oxiran-2-ylmethoxy)cyclohexyl]methyl]cyclohexyl]oxymethyl]oxirane (CID 139990267) is 2-[[3-ethyl-4-[[2-ethyl-4-(oxiran-2-ylmethoxy)cyclohexyl]methyl]cyclohexyl]oxymethyl]oxirane.
What is the SMILES notation for 2-[[3-ethyl-4-[[2-ethyl-4-(oxiran-2-ylmethoxy)cyclohexyl]methyl]cyclohexyl]oxymethyl]oxirane?
The canonical SMILES for 2-[[3-ethyl-4-[[2-ethyl-4-(oxiran-2-ylmethoxy)cyclohexyl]methyl]cyclohexyl]oxymethyl]oxirane is CCC1CC(OCC2CO2)CCC1CC1CCC(OCC2CO2)CC1CC.
What is the InChIKey of 2-[[3-ethyl-4-[[2-ethyl-4-(oxiran-2-ylmethoxy)cyclohexyl]methyl]cyclohexyl]oxymethyl]oxirane?
The InChIKey is ZDUAXZRKIOYXOS-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H40O4/c1-3-16-10-20(24-12-22-14-26-22)7-5-18(16)9-19-6-8-21(11-17(19)4-2)25-13-23-15-27-23/h16-23H,3-15H2,1-2H3.
What are the key properties of 2-[[3-ethyl-4-[[2-ethyl-4-(oxiran-2-ylmethoxy)cyclohexyl]methyl]cyclohexyl]oxymethyl]oxirane?
2-[[3-ethyl-4-[[2-ethyl-4-(oxiran-2-ylmethoxy)cyclohexyl]methyl]cyclohexyl]oxymethyl]oxirane has a molecular weight of 380.57 g/mol, XLogP of 4.60, 10 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[3-ethyl-4-[[2-ethyl-4-(oxiran-2-ylmethoxy)cyclohexyl]methyl]cyclohexyl]oxymethyl]oxirane is sourced from PubChem (CID 139990267), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).