7-butyl-1-methylbicyclo[4.2.0]octane

C13H24 — CID 123922439

IUPAC7-butyl-1-methylbicyclo[4.2.0]octane
SMILESCCCCC1CC2(C)CCCCC12
InChIInChI=1S/C13H24/c1-3-4-7-11-10-13(2)9-6-5-8-12(11)13/h11-12H,3-10H2,1-2H3
InChIKeyADGKJPIYGQTZFZ-UHFFFAOYSA-N
MW180.33 g/mol
LogP4.39
Rot. Bonds3

About 7-butyl-1-methylbicyclo[4.2.0]octane

7-butyl-1-methylbicyclo[4.2.0]octane (PubChem CID 123922439) has the molecular formula C13H24 and a molecular weight of 180.33 g/mol. Its IUPAC name is 7-butyl-1-methylbicyclo[4.2.0]octane.

Molecular Properties

Compound Name7-butyl-1-methylbicyclo[4.2.0]octane
PubChem CID123922439
Molecular FormulaC13H24
Molecular Weight180.33 g/mol
Exact Mass180.19
IUPAC Name7-butyl-1-methylbicyclo[4.2.0]octane
SMILESCCCCC1CC2(C)CCCCC12
InChIInChI=1S/C13H24/c1-3-4-7-11-10-13(2)9-6-5-8-12(11)13/h11-12H,3-10H2,1-2H3
InChIKeyADGKJPIYGQTZFZ-UHFFFAOYSA-N
XLogP4.39
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds3
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500180.33
LogP ≤ 54.39
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

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Frequently Asked Questions

What is the IUPAC name of 7-butyl-1-methylbicyclo[4.2.0]octane?
The IUPAC name of 7-butyl-1-methylbicyclo[4.2.0]octane (CID 123922439) is 7-butyl-1-methylbicyclo[4.2.0]octane.
What is the SMILES notation for 7-butyl-1-methylbicyclo[4.2.0]octane?
The canonical SMILES for 7-butyl-1-methylbicyclo[4.2.0]octane is CCCCC1CC2(C)CCCCC12.
What is the InChIKey of 7-butyl-1-methylbicyclo[4.2.0]octane?
The InChIKey is ADGKJPIYGQTZFZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H24/c1-3-4-7-11-10-13(2)9-6-5-8-12(11)13/h11-12H,3-10H2,1-2H3.
What are the key properties of 7-butyl-1-methylbicyclo[4.2.0]octane?
7-butyl-1-methylbicyclo[4.2.0]octane has a molecular weight of 180.33 g/mol, XLogP of 4.39, 3 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 7-butyl-1-methylbicyclo[4.2.0]octane is sourced from PubChem (CID 123922439), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).