1,2-diethyl-4-methylbicyclo[1.1.0]butane

C9H16 — CID 123294287

IUPAC1,2-diethyl-4-methylbicyclo[1.1.0]butane
SMILESCCC1C2C(C)C12CC
InChIInChI=1S/C9H16/c1-4-7-8-6(3)9(7,8)5-2/h6-8H,4-5H2,1-3H3
InChIKeyRBMZDVJUYRIKPM-UHFFFAOYSA-N
MW124.23 g/mol
LogP2.69
Rot. Bonds2

About 1,2-diethyl-4-methylbicyclo[1.1.0]butane

1,2-diethyl-4-methylbicyclo[1.1.0]butane (PubChem CID 123294287) has the molecular formula C9H16 and a molecular weight of 124.23 g/mol. Its IUPAC name is 1,2-diethyl-4-methylbicyclo[1.1.0]butane.

Molecular Properties

Compound Name1,2-diethyl-4-methylbicyclo[1.1.0]butane
PubChem CID123294287
Molecular FormulaC9H16
Molecular Weight124.23 g/mol
Exact Mass124.13
IUPAC Name1,2-diethyl-4-methylbicyclo[1.1.0]butane
SMILESCCC1C2C(C)C12CC
InChIInChI=1S/C9H16/c1-4-7-8-6(3)9(7,8)5-2/h6-8H,4-5H2,1-3H3
InChIKeyRBMZDVJUYRIKPM-UHFFFAOYSA-N
XLogP2.69
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds2
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500124.23
LogP ≤ 52.69
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Analyze 1,2-diethyl-4-methylbicyclo[1.1.0]butane with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 1,2-diethyl-4-methylbicyclo[1.1.0]butane?
The IUPAC name of 1,2-diethyl-4-methylbicyclo[1.1.0]butane (CID 123294287) is 1,2-diethyl-4-methylbicyclo[1.1.0]butane.
What is the SMILES notation for 1,2-diethyl-4-methylbicyclo[1.1.0]butane?
The canonical SMILES for 1,2-diethyl-4-methylbicyclo[1.1.0]butane is CCC1C2C(C)C12CC.
What is the InChIKey of 1,2-diethyl-4-methylbicyclo[1.1.0]butane?
The InChIKey is RBMZDVJUYRIKPM-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H16/c1-4-7-8-6(3)9(7,8)5-2/h6-8H,4-5H2,1-3H3.
What are the key properties of 1,2-diethyl-4-methylbicyclo[1.1.0]butane?
1,2-diethyl-4-methylbicyclo[1.1.0]butane has a molecular weight of 124.23 g/mol, XLogP of 2.69, 2 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 1,2-diethyl-4-methylbicyclo[1.1.0]butane is sourced from PubChem (CID 123294287), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).