2,3,5,6-tetraethylbicyclo[2.2.1]hepta-2,5-diene

C15H24 — CID 59476061

IUPAC2,3,5,6-tetraethylbicyclo[2.2.1]hepta-2,5-diene
SMILESCCC1=C(CC)C2CC1C(CC)=C2CC
InChIInChI=1S/C15H24/c1-5-10-11(6-2)15-9-14(10)12(7-3)13(15)8-4/h14-15H,5-9H2,1-4H3
InChIKeyJIYMNGCMKQZVFL-UHFFFAOYSA-N
MW204.36 g/mol
LogP4.87
Rot. Bonds4

About 2,3,5,6-tetraethylbicyclo[2.2.1]hepta-2,5-diene

2,3,5,6-tetraethylbicyclo[2.2.1]hepta-2,5-diene (PubChem CID 59476061) has the molecular formula C15H24 and a molecular weight of 204.36 g/mol. Its IUPAC name is 2,3,5,6-tetraethylbicyclo[2.2.1]hepta-2,5-diene.

Molecular Properties

Compound Name2,3,5,6-tetraethylbicyclo[2.2.1]hepta-2,5-diene
PubChem CID59476061
Molecular FormulaC15H24
Molecular Weight204.36 g/mol
Exact Mass204.19
IUPAC Name2,3,5,6-tetraethylbicyclo[2.2.1]hepta-2,5-diene
SMILESCCC1=C(CC)C2CC1C(CC)=C2CC
InChIInChI=1S/C15H24/c1-5-10-11(6-2)15-9-14(10)12(7-3)13(15)8-4/h14-15H,5-9H2,1-4H3
InChIKeyJIYMNGCMKQZVFL-UHFFFAOYSA-N
XLogP4.87
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500204.36
LogP ≤ 54.87
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

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

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Related Compounds

(2S,4R,14R,16S,19R)-2,3,7,8,12,13,17,18-octaethyl-1,2,3,4,5,6,9,10,11,14,15,16,19,20-tetradecahydroporphyrin-21,22,23,24-tetraide;platinum(4+)
CID 140709864
nickel(2+);2,3,7,8,12,13,17,18-octaethyl-1,2,3,4,5,6,9,10,11,12,13,14,15,16,19,20,22,24-octadecahydroporphyrin-21,23-diide
CID 133108695
1,2-diethyl-4,5-dimethylcyclohexene
CID 74022411
(4S)-5-ethyl-3-methylbicyclo[2.1.1]hex-1(5)-ene
CID 163416464
2,3,4,5-tetraethyl-2,5-dihydrofuran
CID 22165884
2-ethyl-3-methyl-7-oxabicyclo[2.2.1]hept-2-ene
CID 142316522
(3aS,6aR)-4-ethyl-5-methyl-2-methylidene-3,3a,6,6a-tetrahydrocyclopenta[b]furan
CID 58644924
1-(6-ethyl-3-bicyclo[3.1.0]hexa-1(6),2-dienyl)ethanamine
CID 156518695
1,2-dimethylcyclopropane;propane
CID 143337919
2-(4-ethyl-2,3,5-trimethylcyclohex-3-en-1-yl)ethanamine
CID 123337653
1,2,3,4-tetraethyl-5-propylcyclopenta-1,3-diene
CID 154057871
3-chloro-2-ethyl-1-methylcyclohexene
CID 146174789

Frequently Asked Questions

What is the IUPAC name of 2,3,5,6-tetraethylbicyclo[2.2.1]hepta-2,5-diene?
The IUPAC name of 2,3,5,6-tetraethylbicyclo[2.2.1]hepta-2,5-diene (CID 59476061) is 2,3,5,6-tetraethylbicyclo[2.2.1]hepta-2,5-diene.
What is the SMILES notation for 2,3,5,6-tetraethylbicyclo[2.2.1]hepta-2,5-diene?
The canonical SMILES for 2,3,5,6-tetraethylbicyclo[2.2.1]hepta-2,5-diene is CCC1=C(CC)C2CC1C(CC)=C2CC.
What is the InChIKey of 2,3,5,6-tetraethylbicyclo[2.2.1]hepta-2,5-diene?
The InChIKey is JIYMNGCMKQZVFL-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H24/c1-5-10-11(6-2)15-9-14(10)12(7-3)13(15)8-4/h14-15H,5-9H2,1-4H3.
What are the key properties of 2,3,5,6-tetraethylbicyclo[2.2.1]hepta-2,5-diene?
2,3,5,6-tetraethylbicyclo[2.2.1]hepta-2,5-diene has a molecular weight of 204.36 g/mol, XLogP of 4.87, 4 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 2,3,5,6-tetraethylbicyclo[2.2.1]hepta-2,5-diene is sourced from PubChem (CID 59476061), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).