2-ethyl-1,2,4,4-tetramethylbicyclo[1.1.0]butane

C10H18 — CID 123284470

IUPAC2-ethyl-1,2,4,4-tetramethylbicyclo[1.1.0]butane
SMILESCCC1(C)C2C(C)(C)C21C
InChIInChI=1S/C10H18/c1-6-9(4)7-8(2,3)10(7,9)5/h7H,6H2,1-5H3
InChIKeyNTUYJGUUFCHMLI-UHFFFAOYSA-N
MW138.25 g/mol
LogP3.08
Rot. Bonds1

About 2-ethyl-1,2,4,4-tetramethylbicyclo[1.1.0]butane

2-ethyl-1,2,4,4-tetramethylbicyclo[1.1.0]butane (PubChem CID 123284470) has the molecular formula C10H18 and a molecular weight of 138.25 g/mol. Its IUPAC name is 2-ethyl-1,2,4,4-tetramethylbicyclo[1.1.0]butane.

Molecular Properties

Compound Name2-ethyl-1,2,4,4-tetramethylbicyclo[1.1.0]butane
PubChem CID123284470
Molecular FormulaC10H18
Molecular Weight138.25 g/mol
Exact Mass138.14
IUPAC Name2-ethyl-1,2,4,4-tetramethylbicyclo[1.1.0]butane
SMILESCCC1(C)C2C(C)(C)C21C
InChIInChI=1S/C10H18/c1-6-9(4)7-8(2,3)10(7,9)5/h7H,6H2,1-5H3
InChIKeyNTUYJGUUFCHMLI-UHFFFAOYSA-N
XLogP3.08
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds1
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500138.25
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-1,2,4,4-tetramethylbicyclo[1.1.0]butane?
The IUPAC name of 2-ethyl-1,2,4,4-tetramethylbicyclo[1.1.0]butane (CID 123284470) is 2-ethyl-1,2,4,4-tetramethylbicyclo[1.1.0]butane.
What is the SMILES notation for 2-ethyl-1,2,4,4-tetramethylbicyclo[1.1.0]butane?
The canonical SMILES for 2-ethyl-1,2,4,4-tetramethylbicyclo[1.1.0]butane is CCC1(C)C2C(C)(C)C21C.
What is the InChIKey of 2-ethyl-1,2,4,4-tetramethylbicyclo[1.1.0]butane?
The InChIKey is NTUYJGUUFCHMLI-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H18/c1-6-9(4)7-8(2,3)10(7,9)5/h7H,6H2,1-5H3.
What are the key properties of 2-ethyl-1,2,4,4-tetramethylbicyclo[1.1.0]butane?
2-ethyl-1,2,4,4-tetramethylbicyclo[1.1.0]butane has a molecular weight of 138.25 g/mol, XLogP of 3.08, 1 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 2-ethyl-1,2,4,4-tetramethylbicyclo[1.1.0]butane is sourced from PubChem (CID 123284470), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).