1-ethylbicyclo[2.2.2]octa-2,5-diene

C10H14 — CID 57181207

IUPAC1-ethylbicyclo[2.2.2]octa-2,5-diene
SMILESCCC12C=CC(C=C1)CC2
InChIInChI=1S/C10H14/c1-2-10-6-3-9(4-7-10)5-8-10/h3-4,6-7,9H,2,5,8H2,1H3
InChIKeyHAUOPVLBYOXLNZ-UHFFFAOYSA-N
MW134.22 g/mol
LogP2.92
Rot. Bonds1

About 1-ethylbicyclo[2.2.2]octa-2,5-diene

1-ethylbicyclo[2.2.2]octa-2,5-diene (PubChem CID 57181207) has the molecular formula C10H14 and a molecular weight of 134.22 g/mol. Its IUPAC name is 1-ethylbicyclo[2.2.2]octa-2,5-diene.

Molecular Properties

Compound Name1-ethylbicyclo[2.2.2]octa-2,5-diene
PubChem CID57181207
Molecular FormulaC10H14
Molecular Weight134.22 g/mol
Exact Mass134.11
IUPAC Name1-ethylbicyclo[2.2.2]octa-2,5-diene
SMILESCCC12C=CC(C=C1)CC2
InChIInChI=1S/C10H14/c1-2-10-6-3-9(4-7-10)5-8-10/h3-4,6-7,9H,2,5,8H2,1H3
InChIKeyHAUOPVLBYOXLNZ-UHFFFAOYSA-N
XLogP2.92
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds1
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500134.22
LogP ≤ 52.92
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

1-bicyclo[2.2.1]hepta-2,5-dienylmethanamine
CID 118418084
1-ethyl-7-oxabicyclo[2.2.1]hept-2-ene
CID 141194938
3,3,6-triethylcyclohexene
CID 154134813
cis-(1S,2R)-1-ethylcyclobutane-1,2-diol
CID 102159302
cis-(2R,3S)-1,1,4,4-tetraethyl-2,3-dimethylcyclohexane
CID 170936839
ethane;1-ethylbicyclo[2.2.1]heptane
CID 168937878
[(1S)-1-ethyl-3-methylcyclopentyl]methanamine
CID 142068635
(1R,4S)-1-ethyl-4-prop-1-en-2-ylcyclohex-2-en-1-ol
CID 130265222
1-ethylbicyclo[2.2.0]hexane
CID 90977886
(1E,4E)-7,7-diethyl-6-methylcycloocta-1,4-diene
CID 145019487
(2R)-1-ethyl-1-(1-ethylcyclopentyl)-2-methylcyclopentane
CID 163427402
[4-methyl-1-(methylaminomethyl)cyclohexyl]methanamine
CID 115442703

Frequently Asked Questions

What is the IUPAC name of 1-ethylbicyclo[2.2.2]octa-2,5-diene?
The IUPAC name of 1-ethylbicyclo[2.2.2]octa-2,5-diene (CID 57181207) is 1-ethylbicyclo[2.2.2]octa-2,5-diene.
What is the SMILES notation for 1-ethylbicyclo[2.2.2]octa-2,5-diene?
The canonical SMILES for 1-ethylbicyclo[2.2.2]octa-2,5-diene is CCC12C=CC(C=C1)CC2.
What is the InChIKey of 1-ethylbicyclo[2.2.2]octa-2,5-diene?
The InChIKey is HAUOPVLBYOXLNZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H14/c1-2-10-6-3-9(4-7-10)5-8-10/h3-4,6-7,9H,2,5,8H2,1H3.
What are the key properties of 1-ethylbicyclo[2.2.2]octa-2,5-diene?
1-ethylbicyclo[2.2.2]octa-2,5-diene has a molecular weight of 134.22 g/mol, XLogP of 2.92, 1 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 1-ethylbicyclo[2.2.2]octa-2,5-diene is sourced from PubChem (CID 57181207), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).