3-(oxiran-2-ylmethoxymethoxy)-6-[4-(oxiran-2-ylmethoxymethoxy)cyclohexyl]pyridazine

C18H26N2O6 — CID 59790971

IUPAC3-(oxiran-2-ylmethoxymethoxy)-6-[4-(oxiran-2-ylmethoxymethoxy)cyclohexyl]pyridazine
SMILESc1cc(C2CCC(OCOCC3CO3)CC2)nnc1OCOCC1CO1
InChIInChI=1S/C18H26N2O6/c1-3-14(25-11-21-7-15-9-23-15)4-2-13(1)17-5-6-18(20-19-17)26-12-22-8-16-10-24-16/h5-6,13-16H,1-4,7-12H2
InChIKeyOSMPSVXYTSCAPD-UHFFFAOYSA-N
MW366.41 g/mol
LogP1.64
Rot. Bonds11

About 3-(oxiran-2-ylmethoxymethoxy)-6-[4-(oxiran-2-ylmethoxymethoxy)cyclohexyl]pyridazine

3-(oxiran-2-ylmethoxymethoxy)-6-[4-(oxiran-2-ylmethoxymethoxy)cyclohexyl]pyridazine (PubChem CID 59790971) has the molecular formula C18H26N2O6 and a molecular weight of 366.41 g/mol. Its IUPAC name is 3-(oxiran-2-ylmethoxymethoxy)-6-[4-(oxiran-2-ylmethoxymethoxy)cyclohexyl]pyridazine.

Molecular Properties

Compound Name3-(oxiran-2-ylmethoxymethoxy)-6-[4-(oxiran-2-ylmethoxymethoxy)cyclohexyl]pyridazine
PubChem CID59790971
Molecular FormulaC18H26N2O6
Molecular Weight366.41 g/mol
Exact Mass366.18
IUPAC Name3-(oxiran-2-ylmethoxymethoxy)-6-[4-(oxiran-2-ylmethoxymethoxy)cyclohexyl]pyridazine
SMILESc1cc(C2CCC(OCOCC3CO3)CC2)nnc1OCOCC1CO1
InChIInChI=1S/C18H26N2O6/c1-3-14(25-11-21-7-15-9-23-15)4-2-13(1)17-5-6-18(20-19-17)26-12-22-8-16-10-24-16/h5-6,13-16H,1-4,7-12H2
InChIKeyOSMPSVXYTSCAPD-UHFFFAOYSA-N
XLogP1.64
TPSA87.76 Ų
H-Bond Donors
H-Bond Acceptors8
Rotatable Bonds11
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500366.41
LogP ≤ 51.64
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 108

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'het-C-het_not_in_ring', 'substructure': 'N/A'}, {'alert_name': 'Three-membered_heterocycle', 'substructure': 'N/A'}

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Related Compounds

4-[4-(oxiran-2-ylmethoxymethoxy)cyclohexyl]benzonitrile
CID 59790548
2-[[4-(4-chlorophenyl)cyclohexyl]oxymethoxymethyl]oxirane
CID 59791027
2-[[4-(3,4,5-trifluorophenyl)cyclohexyl]oxymethoxymethyl]oxirane
CID 59790951
[4-[[4-(oxiran-2-ylmethoxymethoxy)cyclohexyl]oxymethoxy]phenyl] 4-(oxiran-2-ylmethoxymethoxy)cyclohexane-1-carboxylate
CID 59791083
2-[[4-[4-[4-(3,4-difluorophenyl)phenyl]cyclohexyl]cyclohexyl]oxymethoxymethyl]oxirane
CID 59791128
2-[[4-[4-[4-(3,4,5-trifluorophenyl)phenyl]cyclohexyl]cyclohexyl]oxymethoxymethyl]oxirane
CID 59790578
2-fluoro-4-[4-[4-(oxiran-2-ylmethoxymethoxy)cyclohexyl]phenyl]benzonitrile
CID 59790919
2-[[4-(4-fluorophenyl)cyclohexyl]oxymethyl]oxirane
CID 59790559
[4-(4-cyanophenyl)phenyl] 4-[4-(oxiran-2-ylmethoxymethoxy)cyclohexyl]benzoate
CID 59790764
(2,3-difluoro-4-methylphenyl) 4-(oxiran-2-ylmethoxymethoxy)cyclohexane-1-carboxylate
CID 59790802
2-[[4-[2-[4-[2-[4-(oxiran-2-ylmethoxymethoxy)phenyl]ethenyl]phenyl]ethenyl]phenoxy]methoxymethyl]oxirane
CID 72562916
3-cyclopropyl-6-(thian-4-yloxy)pyridazine
CID 126954346

Frequently Asked Questions

What is the IUPAC name of 3-(oxiran-2-ylmethoxymethoxy)-6-[4-(oxiran-2-ylmethoxymethoxy)cyclohexyl]pyridazine?
The IUPAC name of 3-(oxiran-2-ylmethoxymethoxy)-6-[4-(oxiran-2-ylmethoxymethoxy)cyclohexyl]pyridazine (CID 59790971) is 3-(oxiran-2-ylmethoxymethoxy)-6-[4-(oxiran-2-ylmethoxymethoxy)cyclohexyl]pyridazine.
What is the SMILES notation for 3-(oxiran-2-ylmethoxymethoxy)-6-[4-(oxiran-2-ylmethoxymethoxy)cyclohexyl]pyridazine?
The canonical SMILES for 3-(oxiran-2-ylmethoxymethoxy)-6-[4-(oxiran-2-ylmethoxymethoxy)cyclohexyl]pyridazine is c1cc(C2CCC(OCOCC3CO3)CC2)nnc1OCOCC1CO1.
What is the InChIKey of 3-(oxiran-2-ylmethoxymethoxy)-6-[4-(oxiran-2-ylmethoxymethoxy)cyclohexyl]pyridazine?
The InChIKey is OSMPSVXYTSCAPD-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H26N2O6/c1-3-14(25-11-21-7-15-9-23-15)4-2-13(1)17-5-6-18(20-19-17)26-12-22-8-16-10-24-16/h5-6,13-16H,1-4,7-12H2.
What are the key properties of 3-(oxiran-2-ylmethoxymethoxy)-6-[4-(oxiran-2-ylmethoxymethoxy)cyclohexyl]pyridazine?
3-(oxiran-2-ylmethoxymethoxy)-6-[4-(oxiran-2-ylmethoxymethoxy)cyclohexyl]pyridazine has a molecular weight of 366.41 g/mol, XLogP of 1.64, 11 rotatable bonds, 0 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(oxiran-2-ylmethoxymethoxy)-6-[4-(oxiran-2-ylmethoxymethoxy)cyclohexyl]pyridazine is sourced from PubChem (CID 59790971), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).