1-ethyl-3,4-dimethylcyclobutene

C8H14 — CID 21428499

IUPAC1-ethyl-3,4-dimethylcyclobutene
SMILESCCC1=CC(C)C1C
InChIInChI=1S/C8H14/c1-4-8-5-6(2)7(8)3/h5-7H,4H2,1-3H3
InChIKeyXKNYJDGPOPMDKH-UHFFFAOYSA-N
MW110.20 g/mol
LogP2.61
Rot. Bonds1

About 1-ethyl-3,4-dimethylcyclobutene

1-ethyl-3,4-dimethylcyclobutene (PubChem CID 21428499) has the molecular formula C8H14 and a molecular weight of 110.20 g/mol. Its IUPAC name is 1-ethyl-3,4-dimethylcyclobutene.

Molecular Properties

Compound Name1-ethyl-3,4-dimethylcyclobutene
PubChem CID21428499
Molecular FormulaC8H14
Molecular Weight110.20 g/mol
Exact Mass110.11
IUPAC Name1-ethyl-3,4-dimethylcyclobutene
SMILESCCC1=CC(C)C1C
InChIInChI=1S/C8H14/c1-4-8-5-6(2)7(8)3/h5-7H,4H2,1-3H3
InChIKeyXKNYJDGPOPMDKH-UHFFFAOYSA-N
XLogP2.61
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds1
Heavy Atoms8
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500110.20
LogP ≤ 52.61
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

Analyze 1-ethyl-3,4-dimethylcyclobutene with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

1-Methyl-4-Prop-1-En-2-Ylcyclohexene
CID 22311
(+)-Limonene
CID 440917
Limonene, (-)-
CID 439250
alpha-Bisabolene
CID 86597
alpha-Bisabolene, (E)-
CID 5315468
p-Menth-1-ene
CID 21671
(+)-germacrene A
CID 9548705
2,6-Dimethyl-2-octene
CID 19974
(Z)-alpha-Bisabolene
CID 5352653
(+)-p-Menth-1-ene
CID 70954
Germacrene A
CID 5835162
(-)-beta-Curcumene
CID 14014430

Frequently Asked Questions

What is the IUPAC name of 1-ethyl-3,4-dimethylcyclobutene?
The IUPAC name of 1-ethyl-3,4-dimethylcyclobutene (CID 21428499) is 1-ethyl-3,4-dimethylcyclobutene.
What is the SMILES notation for 1-ethyl-3,4-dimethylcyclobutene?
The canonical SMILES for 1-ethyl-3,4-dimethylcyclobutene is CCC1=CC(C)C1C.
What is the InChIKey of 1-ethyl-3,4-dimethylcyclobutene?
The InChIKey is XKNYJDGPOPMDKH-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H14/c1-4-8-5-6(2)7(8)3/h5-7H,4H2,1-3H3.
What are the key properties of 1-ethyl-3,4-dimethylcyclobutene?
1-ethyl-3,4-dimethylcyclobutene has a molecular weight of 110.20 g/mol, XLogP of 2.61, 1 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 1-ethyl-3,4-dimethylcyclobutene is sourced from PubChem (CID 21428499), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).