2-ethyl-1-(2-methylpropyl)-4-pentan-2-ylbicyclo[1.1.0]butane

C15H28 — CID 90720623

IUPAC2-ethyl-1-(2-methylpropyl)-4-pentan-2-ylbicyclo[1.1.0]butane
SMILESCCCC(C)C1C2C(CC)C12CC(C)C
InChIInChI=1S/C15H28/c1-6-8-11(5)13-14-12(7-2)15(13,14)9-10(3)4/h10-14H,6-9H2,1-5H3
InChIKeyYTTREWFGVFCESP-UHFFFAOYSA-N
MW208.39 g/mol
LogP4.74
Rot. Bonds6

About 2-ethyl-1-(2-methylpropyl)-4-pentan-2-ylbicyclo[1.1.0]butane

2-ethyl-1-(2-methylpropyl)-4-pentan-2-ylbicyclo[1.1.0]butane (PubChem CID 90720623) has the molecular formula C15H28 and a molecular weight of 208.39 g/mol. Its IUPAC name is 2-ethyl-1-(2-methylpropyl)-4-pentan-2-ylbicyclo[1.1.0]butane.

Molecular Properties

Compound Name2-ethyl-1-(2-methylpropyl)-4-pentan-2-ylbicyclo[1.1.0]butane
PubChem CID90720623
Molecular FormulaC15H28
Molecular Weight208.39 g/mol
Exact Mass208.22
IUPAC Name2-ethyl-1-(2-methylpropyl)-4-pentan-2-ylbicyclo[1.1.0]butane
SMILESCCCC(C)C1C2C(CC)C12CC(C)C
InChIInChI=1S/C15H28/c1-6-8-11(5)13-14-12(7-2)15(13,14)9-10(3)4/h10-14H,6-9H2,1-5H3
InChIKeyYTTREWFGVFCESP-UHFFFAOYSA-N
XLogP4.74
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds6
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500208.39
LogP ≤ 54.74
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-methylpropyl)-4-pentan-2-ylbicyclo[1.1.0]butane?
The IUPAC name of 2-ethyl-1-(2-methylpropyl)-4-pentan-2-ylbicyclo[1.1.0]butane (CID 90720623) is 2-ethyl-1-(2-methylpropyl)-4-pentan-2-ylbicyclo[1.1.0]butane.
What is the SMILES notation for 2-ethyl-1-(2-methylpropyl)-4-pentan-2-ylbicyclo[1.1.0]butane?
The canonical SMILES for 2-ethyl-1-(2-methylpropyl)-4-pentan-2-ylbicyclo[1.1.0]butane is CCCC(C)C1C2C(CC)C12CC(C)C.
What is the InChIKey of 2-ethyl-1-(2-methylpropyl)-4-pentan-2-ylbicyclo[1.1.0]butane?
The InChIKey is YTTREWFGVFCESP-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H28/c1-6-8-11(5)13-14-12(7-2)15(13,14)9-10(3)4/h10-14H,6-9H2,1-5H3.
What are the key properties of 2-ethyl-1-(2-methylpropyl)-4-pentan-2-ylbicyclo[1.1.0]butane?
2-ethyl-1-(2-methylpropyl)-4-pentan-2-ylbicyclo[1.1.0]butane has a molecular weight of 208.39 g/mol, XLogP of 4.74, 6 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 2-ethyl-1-(2-methylpropyl)-4-pentan-2-ylbicyclo[1.1.0]butane is sourced from PubChem (CID 90720623), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).