1-ethyl-4-(3-ethyl-1-bicyclo[2.2.2]octanyl)bicyclo[2.2.2]octane

C20H34 — CID 58695344

IUPAC1-ethyl-4-(3-ethyl-1-bicyclo[2.2.2]octanyl)bicyclo[2.2.2]octane
SMILESCCC1CC2(C34CCC(CC)(CC3)CC4)CCC1CC2
InChIInChI=1S/C20H34/c1-3-16-15-20(7-5-17(16)6-8-20)19-12-9-18(4-2,10-13-19)11-14-19/h16-17H,3-15H2,1-2H3
InChIKeyJKXZWXODZOMTJC-UHFFFAOYSA-N
MW274.49 g/mol
LogP6.34
Rot. Bonds3

About 1-ethyl-4-(3-ethyl-1-bicyclo[2.2.2]octanyl)bicyclo[2.2.2]octane

1-ethyl-4-(3-ethyl-1-bicyclo[2.2.2]octanyl)bicyclo[2.2.2]octane (PubChem CID 58695344) has the molecular formula C20H34 and a molecular weight of 274.49 g/mol. Its IUPAC name is 1-ethyl-4-(3-ethyl-1-bicyclo[2.2.2]octanyl)bicyclo[2.2.2]octane.

Molecular Properties

Compound Name1-ethyl-4-(3-ethyl-1-bicyclo[2.2.2]octanyl)bicyclo[2.2.2]octane
PubChem CID58695344
Molecular FormulaC20H34
Molecular Weight274.49 g/mol
Exact Mass274.27
IUPAC Name1-ethyl-4-(3-ethyl-1-bicyclo[2.2.2]octanyl)bicyclo[2.2.2]octane
SMILESCCC1CC2(C34CCC(CC)(CC3)CC4)CCC1CC2
InChIInChI=1S/C20H34/c1-3-16-15-20(7-5-17(16)6-8-20)19-12-9-18(4-2,10-13-19)11-14-19/h16-17H,3-15H2,1-2H3
InChIKeyJKXZWXODZOMTJC-UHFFFAOYSA-N
XLogP6.34
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500274.49
LogP ≤ 56.34
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Analyze 1-ethyl-4-(3-ethyl-1-bicyclo[2.2.2]octanyl)bicyclo[2.2.2]octane with MolForge

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Related Compounds

6-ethyltricyclo[4.3.1.03,8]decane
CID 173088739
1-ethyl-4-[[4-[(4-ethyl-1-bicyclo[2.2.2]octanyl)methyl]cyclohexyl]methyl]bicyclo[2.2.2]octane
CID 58776428
ethane;1-ethylbicyclo[2.2.1]heptane
CID 168937878
5,6-diethylspiro[2.4]heptane
CID 177192839
1,3,5-triethyladamantane
CID 21415733
trans-(1R,2R)-1,2-diethylcyclobutane
CID 59110889
1,1,3-triethyl-2-methylcyclopentane
CID 123903996
3-ethyl-1,1,2-trimethylcyclopentane
CID 123564312
3-ethylbicyclo[3.2.0]heptane-3-carbonitrile
CID 21024484
1-methyl-3-pentylbicyclo[2.2.2]octane
CID 91181961
7-ethyl-1-methylbicyclo[2.2.1]heptane
CID 143617242
cis-(1R,2R)-2-ethyl-4,4-difluorocyclohexan-1-ol
CID 121407303

Frequently Asked Questions

What is the IUPAC name of 1-ethyl-4-(3-ethyl-1-bicyclo[2.2.2]octanyl)bicyclo[2.2.2]octane?
The IUPAC name of 1-ethyl-4-(3-ethyl-1-bicyclo[2.2.2]octanyl)bicyclo[2.2.2]octane (CID 58695344) is 1-ethyl-4-(3-ethyl-1-bicyclo[2.2.2]octanyl)bicyclo[2.2.2]octane.
What is the SMILES notation for 1-ethyl-4-(3-ethyl-1-bicyclo[2.2.2]octanyl)bicyclo[2.2.2]octane?
The canonical SMILES for 1-ethyl-4-(3-ethyl-1-bicyclo[2.2.2]octanyl)bicyclo[2.2.2]octane is CCC1CC2(C34CCC(CC)(CC3)CC4)CCC1CC2.
What is the InChIKey of 1-ethyl-4-(3-ethyl-1-bicyclo[2.2.2]octanyl)bicyclo[2.2.2]octane?
The InChIKey is JKXZWXODZOMTJC-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H34/c1-3-16-15-20(7-5-17(16)6-8-20)19-12-9-18(4-2,10-13-19)11-14-19/h16-17H,3-15H2,1-2H3.
What are the key properties of 1-ethyl-4-(3-ethyl-1-bicyclo[2.2.2]octanyl)bicyclo[2.2.2]octane?
1-ethyl-4-(3-ethyl-1-bicyclo[2.2.2]octanyl)bicyclo[2.2.2]octane has a molecular weight of 274.49 g/mol, XLogP of 6.34, 3 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 1-ethyl-4-(3-ethyl-1-bicyclo[2.2.2]octanyl)bicyclo[2.2.2]octane is sourced from PubChem (CID 58695344), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).