1,2,3,4-tetraethylcyclobuta-1,3-diene

C12H20 — CID 15635843

IUPAC1,2,3,4-tetraethylcyclobuta-1,3-diene
SMILESCCC1=C(CC)C(CC)=C1CC
InChIInChI=1S/C12H20/c1-5-9-10(6-2)12(8-4)11(9)7-3/h5-8H2,1-4H3
InChIKeySYIAVSKGTNIHQT-UHFFFAOYSA-N
MW164.29 g/mol
LogP4.23
Rot. Bonds4

About 1,2,3,4-tetraethylcyclobuta-1,3-diene

1,2,3,4-tetraethylcyclobuta-1,3-diene (PubChem CID 15635843) has the molecular formula C12H20 and a molecular weight of 164.29 g/mol. Its IUPAC name is 1,2,3,4-tetraethylcyclobuta-1,3-diene.

Molecular Properties

Compound Name1,2,3,4-tetraethylcyclobuta-1,3-diene
PubChem CID15635843
Molecular FormulaC12H20
Molecular Weight164.29 g/mol
Exact Mass164.16
IUPAC Name1,2,3,4-tetraethylcyclobuta-1,3-diene
SMILESCCC1=C(CC)C(CC)=C1CC
InChIInChI=1S/C12H20/c1-5-9-10(6-2)12(8-4)11(9)7-3/h5-8H2,1-4H3
InChIKeySYIAVSKGTNIHQT-UHFFFAOYSA-N
XLogP4.23
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds4
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500164.29
LogP ≤ 54.23
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Analyze 1,2,3,4-tetraethylcyclobuta-1,3-diene 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

1,2,3,4-Tetramethylcyclopentadiene
CID 138163
2-Heptene, 2,3-dimethyl-
CID 137816
2-Octene, 2,3-dimethyl-
CID 140599
Cyclobutane, tetrakis(1-methylethylidene)-
CID 612215
4,5-Diethyl-3,5-octadiene
CID 5368963
2,3,6,7-Tetramethylocta-2,6-diene
CID 13378707
2-Methyl-3-ethyl-2-heptene
CID 140589
(3Z,5E)-4,5-diethyl-octa-3,5-diene
CID 5358324
1,2,3,4-Tetramethyl-1,3-cyclohexadiene
CID 14001368
2,4-Hexadiene, 2,5-dimethyl-3,4-bis(1-methylethyl)-
CID 143185
4,5-Dipropyl-4-octene
CID 143530
1,2,4-Trimethyl-3-(~2~H_3_)methylcyclopenta-1,3-diene
CID 71309507

Frequently Asked Questions

What is the IUPAC name of 1,2,3,4-tetraethylcyclobuta-1,3-diene?
The IUPAC name of 1,2,3,4-tetraethylcyclobuta-1,3-diene (CID 15635843) is 1,2,3,4-tetraethylcyclobuta-1,3-diene.
What is the SMILES notation for 1,2,3,4-tetraethylcyclobuta-1,3-diene?
The canonical SMILES for 1,2,3,4-tetraethylcyclobuta-1,3-diene is CCC1=C(CC)C(CC)=C1CC.
What is the InChIKey of 1,2,3,4-tetraethylcyclobuta-1,3-diene?
The InChIKey is SYIAVSKGTNIHQT-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H20/c1-5-9-10(6-2)12(8-4)11(9)7-3/h5-8H2,1-4H3.
What are the key properties of 1,2,3,4-tetraethylcyclobuta-1,3-diene?
1,2,3,4-tetraethylcyclobuta-1,3-diene has a molecular weight of 164.29 g/mol, XLogP of 4.23, 4 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 1,2,3,4-tetraethylcyclobuta-1,3-diene is sourced from PubChem (CID 15635843), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).