2-ethyl-2-(2-methylpentyl)bicyclo[1.1.0]butane

C12H22 — CID 123626685

IUPAC2-ethyl-2-(2-methylpentyl)bicyclo[1.1.0]butane
SMILESCCCC(C)CC1(CC)C2CC21
InChIInChI=1S/C12H22/c1-4-6-9(3)8-12(5-2)10-7-11(10)12/h9-11H,4-8H2,1-3H3
InChIKeyVLWWTLRIIMRDES-UHFFFAOYSA-N
MW166.31 g/mol
LogP3.86
Rot. Bonds5

About 2-ethyl-2-(2-methylpentyl)bicyclo[1.1.0]butane

2-ethyl-2-(2-methylpentyl)bicyclo[1.1.0]butane (PubChem CID 123626685) has the molecular formula C12H22 and a molecular weight of 166.31 g/mol. Its IUPAC name is 2-ethyl-2-(2-methylpentyl)bicyclo[1.1.0]butane.

Molecular Properties

Compound Name2-ethyl-2-(2-methylpentyl)bicyclo[1.1.0]butane
PubChem CID123626685
Molecular FormulaC12H22
Molecular Weight166.31 g/mol
Exact Mass166.17
IUPAC Name2-ethyl-2-(2-methylpentyl)bicyclo[1.1.0]butane
SMILESCCCC(C)CC1(CC)C2CC21
InChIInChI=1S/C12H22/c1-4-6-9(3)8-12(5-2)10-7-11(10)12/h9-11H,4-8H2,1-3H3
InChIKeyVLWWTLRIIMRDES-UHFFFAOYSA-N
XLogP3.86
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds5
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500166.31
LogP ≤ 53.86
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

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Frequently Asked Questions

What is the IUPAC name of 2-ethyl-2-(2-methylpentyl)bicyclo[1.1.0]butane?
The IUPAC name of 2-ethyl-2-(2-methylpentyl)bicyclo[1.1.0]butane (CID 123626685) is 2-ethyl-2-(2-methylpentyl)bicyclo[1.1.0]butane.
What is the SMILES notation for 2-ethyl-2-(2-methylpentyl)bicyclo[1.1.0]butane?
The canonical SMILES for 2-ethyl-2-(2-methylpentyl)bicyclo[1.1.0]butane is CCCC(C)CC1(CC)C2CC21.
What is the InChIKey of 2-ethyl-2-(2-methylpentyl)bicyclo[1.1.0]butane?
The InChIKey is VLWWTLRIIMRDES-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H22/c1-4-6-9(3)8-12(5-2)10-7-11(10)12/h9-11H,4-8H2,1-3H3.
What are the key properties of 2-ethyl-2-(2-methylpentyl)bicyclo[1.1.0]butane?
2-ethyl-2-(2-methylpentyl)bicyclo[1.1.0]butane has a molecular weight of 166.31 g/mol, XLogP of 3.86, 5 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 2-ethyl-2-(2-methylpentyl)bicyclo[1.1.0]butane is sourced from PubChem (CID 123626685), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).