2-butoxybicyclo[3.1.0]hexa-1,3,5-triene;4-butoxypyridazine

C18H24N2O2 — CID 174337763

IUPAC2-butoxybicyclo[3.1.0]hexa-1,3,5-triene;4-butoxypyridazine
SMILESCCCCOc1ccc2cc1-2.CCCCOc1ccnnc1
InChIInChI=1S/C10H12O.C8H12N2O/c1-2-3-6-11-10-5-4-8-7-9(8)10;1-2-3-6-11-8-4-5-9-10-7-8/h2*4-5,7H,2-3,6H2,1H3
InChIKeyWUZQTEPLOXNODN-UHFFFAOYSA-N
MW300.40 g/mol
LogP4.50
Rot. Bonds8

About 2-butoxybicyclo[3.1.0]hexa-1,3,5-triene;4-butoxypyridazine

2-butoxybicyclo[3.1.0]hexa-1,3,5-triene;4-butoxypyridazine (PubChem CID 174337763) has the molecular formula C18H24N2O2 and a molecular weight of 300.40 g/mol. Its IUPAC name is 2-butoxybicyclo[3.1.0]hexa-1,3,5-triene;4-butoxypyridazine.

Molecular Properties

Compound Name2-butoxybicyclo[3.1.0]hexa-1,3,5-triene;4-butoxypyridazine
PubChem CID174337763
Molecular FormulaC18H24N2O2
Molecular Weight300.40 g/mol
Exact Mass300.18
IUPAC Name2-butoxybicyclo[3.1.0]hexa-1,3,5-triene;4-butoxypyridazine
SMILESCCCCOc1ccc2cc1-2.CCCCOc1ccnnc1
InChIInChI=1S/C10H12O.C8H12N2O/c1-2-3-6-11-10-5-4-8-7-9(8)10;1-2-3-6-11-8-4-5-9-10-7-8/h2*4-5,7H,2-3,6H2,1H3
InChIKeyWUZQTEPLOXNODN-UHFFFAOYSA-N
XLogP4.50
TPSA44.24 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500300.40
LogP ≤ 54.50
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

4-propoxypyridazine
CID 91109655
4-(2-butoxyphenyl)pyridazine
CID 173145819
2-[4-(4-bromophenyl)phenyl]-1,4-didecoxybenzene
CID 155925838
2-(4-butoxyphenyl)-1,3-oxazole
CID 69161830
2-(3,4-dipentoxyphenyl)-3,6,7,10,11-pentahexoxytriphenylene
CID 132990482
1-dodecoxy-4-[4-(4-dodecoxyphenyl)phenyl]-2-methylbenzene
CID 59593849
4-butoxy-3-phenylpyridine
CID 91002416
4-(3,4-dipentoxyphenyl)-1,2-dipentoxybenzene
CID 11409401
5-butoxy-2-methylpyridine
CID 13154052
2-fluoro-3-octoxy-6-(4-octoxyphenyl)pyridine
CID 19046959
2-methoxy-1-octadecoxy-4-[4-(4-octadecoxyphenyl)phenyl]benzene
CID 150766167
2-(4-butoxyphenyl)pyrazine
CID 11345209

Frequently Asked Questions

What is the IUPAC name of 2-butoxybicyclo[3.1.0]hexa-1,3,5-triene;4-butoxypyridazine?
The IUPAC name of 2-butoxybicyclo[3.1.0]hexa-1,3,5-triene;4-butoxypyridazine (CID 174337763) is 2-butoxybicyclo[3.1.0]hexa-1,3,5-triene;4-butoxypyridazine.
What is the SMILES notation for 2-butoxybicyclo[3.1.0]hexa-1,3,5-triene;4-butoxypyridazine?
The canonical SMILES for 2-butoxybicyclo[3.1.0]hexa-1,3,5-triene;4-butoxypyridazine is CCCCOc1ccc2cc1-2.CCCCOc1ccnnc1.
What is the InChIKey of 2-butoxybicyclo[3.1.0]hexa-1,3,5-triene;4-butoxypyridazine?
The InChIKey is WUZQTEPLOXNODN-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H12O.C8H12N2O/c1-2-3-6-11-10-5-4-8-7-9(8)10;1-2-3-6-11-8-4-5-9-10-7-8/h2*4-5,7H,2-3,6H2,1H3.
What are the key properties of 2-butoxybicyclo[3.1.0]hexa-1,3,5-triene;4-butoxypyridazine?
2-butoxybicyclo[3.1.0]hexa-1,3,5-triene;4-butoxypyridazine has a molecular weight of 300.40 g/mol, XLogP of 4.50, 8 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-butoxybicyclo[3.1.0]hexa-1,3,5-triene;4-butoxypyridazine is sourced from PubChem (CID 174337763), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).