3-ethyl-2,2-dimethylbicyclo[4.2.0]octane

C12H22 — CID 123145636

IUPAC3-ethyl-2,2-dimethylbicyclo[4.2.0]octane
SMILESCCC1CCC2CCC2C1(C)C
InChIInChI=1S/C12H22/c1-4-10-7-5-9-6-8-11(9)12(10,2)3/h9-11H,4-8H2,1-3H3
InChIKeyKWJJQILXSIJDFV-UHFFFAOYSA-N
MW166.31 g/mol
LogP3.86
Rot. Bonds1

About 3-ethyl-2,2-dimethylbicyclo[4.2.0]octane

3-ethyl-2,2-dimethylbicyclo[4.2.0]octane (PubChem CID 123145636) has the molecular formula C12H22 and a molecular weight of 166.31 g/mol. Its IUPAC name is 3-ethyl-2,2-dimethylbicyclo[4.2.0]octane.

Molecular Properties

Compound Name3-ethyl-2,2-dimethylbicyclo[4.2.0]octane
PubChem CID123145636
Molecular FormulaC12H22
Molecular Weight166.31 g/mol
Exact Mass166.17
IUPAC Name3-ethyl-2,2-dimethylbicyclo[4.2.0]octane
SMILESCCC1CCC2CCC2C1(C)C
InChIInChI=1S/C12H22/c1-4-10-7-5-9-6-8-11(9)12(10,2)3/h9-11H,4-8H2,1-3H3
InChIKeyKWJJQILXSIJDFV-UHFFFAOYSA-N
XLogP3.86
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds1
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500166.31
LogP ≤ 53.86
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

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Related Compounds

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CID 58384236
(2E)-2-(7-ethyl-8,8-dimethyl-1,3,4,4a,5,6,7,8a-octahydronaphthalen-2-ylidene)propan-1-ol
CID 67421216
ethene;2-ethyl-1,1,5-trimethylcyclopentane
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2,6-diethyl-1-methylbicyclo[3.1.1]heptane
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2,5-diethyl-1,1-difluorocyclopentane
CID 20771103
2,4-diethyl-1,1-dimethylcyclobutane;methane
CID 156895183
2-ethyl-1-methylbicyclo[3.1.1]heptane
CID 147397707
2-ethyl-6,6-dimethylbicyclo[3.1.0]hexane
CID 123448381
2-tert-butyl-4-ethyl-1,1-dimethylcyclobutane
CID 90808288
ethane;2-ethyl-1,1,5-trimethylcyclopentane;prop-2-en-1-ol
CID 155738188
(1S,2R,5S)-2-ethyl-8,8-dimethylbicyclo[3.2.1]octane
CID 58715430
2-methyl-2-(2-methylbutan-2-yl)bicyclo[3.2.0]heptane
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Frequently Asked Questions

What is the IUPAC name of 3-ethyl-2,2-dimethylbicyclo[4.2.0]octane?
The IUPAC name of 3-ethyl-2,2-dimethylbicyclo[4.2.0]octane (CID 123145636) is 3-ethyl-2,2-dimethylbicyclo[4.2.0]octane.
What is the SMILES notation for 3-ethyl-2,2-dimethylbicyclo[4.2.0]octane?
The canonical SMILES for 3-ethyl-2,2-dimethylbicyclo[4.2.0]octane is CCC1CCC2CCC2C1(C)C.
What is the InChIKey of 3-ethyl-2,2-dimethylbicyclo[4.2.0]octane?
The InChIKey is KWJJQILXSIJDFV-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H22/c1-4-10-7-5-9-6-8-11(9)12(10,2)3/h9-11H,4-8H2,1-3H3.
What are the key properties of 3-ethyl-2,2-dimethylbicyclo[4.2.0]octane?
3-ethyl-2,2-dimethylbicyclo[4.2.0]octane has a molecular weight of 166.31 g/mol, XLogP of 3.86, 1 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 3-ethyl-2,2-dimethylbicyclo[4.2.0]octane is sourced from PubChem (CID 123145636), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).