2-ethyl-2-(3-methylcyclobutyl)bicyclo[1.1.0]butane

C11H18 — CID 123750817

IUPAC2-ethyl-2-(3-methylcyclobutyl)bicyclo[1.1.0]butane
SMILESCCC1(C2CC(C)C2)C2CC21
InChIInChI=1S/C11H18/c1-3-11(9-6-10(9)11)8-4-7(2)5-8/h7-10H,3-6H2,1-2H3
InChIKeyMCPLVPLVMHGTRI-UHFFFAOYSA-N
MW150.26 g/mol
LogP3.08
Rot. Bonds2

About 2-ethyl-2-(3-methylcyclobutyl)bicyclo[1.1.0]butane

2-ethyl-2-(3-methylcyclobutyl)bicyclo[1.1.0]butane (PubChem CID 123750817) has the molecular formula C11H18 and a molecular weight of 150.26 g/mol. Its IUPAC name is 2-ethyl-2-(3-methylcyclobutyl)bicyclo[1.1.0]butane.

Molecular Properties

Compound Name2-ethyl-2-(3-methylcyclobutyl)bicyclo[1.1.0]butane
PubChem CID123750817
Molecular FormulaC11H18
Molecular Weight150.26 g/mol
Exact Mass150.14
IUPAC Name2-ethyl-2-(3-methylcyclobutyl)bicyclo[1.1.0]butane
SMILESCCC1(C2CC(C)C2)C2CC21
InChIInChI=1S/C11H18/c1-3-11(9-6-10(9)11)8-4-7(2)5-8/h7-10H,3-6H2,1-2H3
InChIKeyMCPLVPLVMHGTRI-UHFFFAOYSA-N
XLogP3.08
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds2
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500150.26
LogP ≤ 53.08
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

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Frequently Asked Questions

What is the IUPAC name of 2-ethyl-2-(3-methylcyclobutyl)bicyclo[1.1.0]butane?
The IUPAC name of 2-ethyl-2-(3-methylcyclobutyl)bicyclo[1.1.0]butane (CID 123750817) is 2-ethyl-2-(3-methylcyclobutyl)bicyclo[1.1.0]butane.
What is the SMILES notation for 2-ethyl-2-(3-methylcyclobutyl)bicyclo[1.1.0]butane?
The canonical SMILES for 2-ethyl-2-(3-methylcyclobutyl)bicyclo[1.1.0]butane is CCC1(C2CC(C)C2)C2CC21.
What is the InChIKey of 2-ethyl-2-(3-methylcyclobutyl)bicyclo[1.1.0]butane?
The InChIKey is MCPLVPLVMHGTRI-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H18/c1-3-11(9-6-10(9)11)8-4-7(2)5-8/h7-10H,3-6H2,1-2H3.
What are the key properties of 2-ethyl-2-(3-methylcyclobutyl)bicyclo[1.1.0]butane?
2-ethyl-2-(3-methylcyclobutyl)bicyclo[1.1.0]butane has a molecular weight of 150.26 g/mol, XLogP of 3.08, 2 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 2-ethyl-2-(3-methylcyclobutyl)bicyclo[1.1.0]butane is sourced from PubChem (CID 123750817), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).