1-ethyl-2,3,4-trimethylcyclobutane

C9H18 — CID 91368240

IUPAC1-ethyl-2,3,4-trimethylcyclobutane
SMILESCCC1C(C)C(C)C1C
InChIInChI=1S/C9H18/c1-5-9-7(3)6(2)8(9)4/h6-9H,5H2,1-4H3
InChIKeyCIVIYCRHFYFHDR-UHFFFAOYSA-N
MW126.24 g/mol
LogP2.93
Rot. Bonds1

About 1-ethyl-2,3,4-trimethylcyclobutane

1-ethyl-2,3,4-trimethylcyclobutane (PubChem CID 91368240) has the molecular formula C9H18 and a molecular weight of 126.24 g/mol. Its IUPAC name is 1-ethyl-2,3,4-trimethylcyclobutane.

Molecular Properties

Compound Name1-ethyl-2,3,4-trimethylcyclobutane
PubChem CID91368240
Molecular FormulaC9H18
Molecular Weight126.24 g/mol
Exact Mass126.14
IUPAC Name1-ethyl-2,3,4-trimethylcyclobutane
SMILESCCC1C(C)C(C)C1C
InChIInChI=1S/C9H18/c1-5-9-7(3)6(2)8(9)4/h6-9H,5H2,1-4H3
InChIKeyCIVIYCRHFYFHDR-UHFFFAOYSA-N
XLogP2.93
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 ≤ 52.93
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

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Frequently Asked Questions

What is the IUPAC name of 1-ethyl-2,3,4-trimethylcyclobutane?
The IUPAC name of 1-ethyl-2,3,4-trimethylcyclobutane (CID 91368240) is 1-ethyl-2,3,4-trimethylcyclobutane.
What is the SMILES notation for 1-ethyl-2,3,4-trimethylcyclobutane?
The canonical SMILES for 1-ethyl-2,3,4-trimethylcyclobutane is CCC1C(C)C(C)C1C.
What is the InChIKey of 1-ethyl-2,3,4-trimethylcyclobutane?
The InChIKey is CIVIYCRHFYFHDR-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H18/c1-5-9-7(3)6(2)8(9)4/h6-9H,5H2,1-4H3.
What are the key properties of 1-ethyl-2,3,4-trimethylcyclobutane?
1-ethyl-2,3,4-trimethylcyclobutane has a molecular weight of 126.24 g/mol, XLogP of 2.93, 1 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 1-ethyl-2,3,4-trimethylcyclobutane is sourced from PubChem (CID 91368240), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).