2-ethyl-1,1,4-trimethylcyclobutane

C9H18 — CID 91404893

IUPAC2-ethyl-1,1,4-trimethylcyclobutane
SMILESCCC1CC(C)C1(C)C
InChIInChI=1S/C9H18/c1-5-8-6-7(2)9(8,3)4/h7-8H,5-6H2,1-4H3
InChIKeyPREYCJSBDGNMCJ-UHFFFAOYSA-N
MW126.24 g/mol
LogP3.08
Rot. Bonds1

About 2-ethyl-1,1,4-trimethylcyclobutane

2-ethyl-1,1,4-trimethylcyclobutane (PubChem CID 91404893) has the molecular formula C9H18 and a molecular weight of 126.24 g/mol. Its IUPAC name is 2-ethyl-1,1,4-trimethylcyclobutane.

Molecular Properties

Compound Name2-ethyl-1,1,4-trimethylcyclobutane
PubChem CID91404893
Molecular FormulaC9H18
Molecular Weight126.24 g/mol
Exact Mass126.14
IUPAC Name2-ethyl-1,1,4-trimethylcyclobutane
SMILESCCC1CC(C)C1(C)C
InChIInChI=1S/C9H18/c1-5-8-6-7(2)9(8,3)4/h7-8H,5-6H2,1-4H3
InChIKeyPREYCJSBDGNMCJ-UHFFFAOYSA-N
XLogP3.08
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds1
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500126.24
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-1,1,4-trimethylcyclobutane?
The IUPAC name of 2-ethyl-1,1,4-trimethylcyclobutane (CID 91404893) is 2-ethyl-1,1,4-trimethylcyclobutane.
What is the SMILES notation for 2-ethyl-1,1,4-trimethylcyclobutane?
The canonical SMILES for 2-ethyl-1,1,4-trimethylcyclobutane is CCC1CC(C)C1(C)C.
What is the InChIKey of 2-ethyl-1,1,4-trimethylcyclobutane?
The InChIKey is PREYCJSBDGNMCJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H18/c1-5-8-6-7(2)9(8,3)4/h7-8H,5-6H2,1-4H3.
What are the key properties of 2-ethyl-1,1,4-trimethylcyclobutane?
2-ethyl-1,1,4-trimethylcyclobutane has a molecular weight of 126.24 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-1,1,4-trimethylcyclobutane is sourced from PubChem (CID 91404893), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).