3-ethyl-1,6,6-trimethylbicyclo[3.1.0]hexane

C11H20 — CID 22755364

IUPAC3-ethyl-1,6,6-trimethylbicyclo[3.1.0]hexane
SMILESCCC1CC2C(C)(C)C2(C)C1
InChIInChI=1S/C11H20/c1-5-8-6-9-10(2,3)11(9,4)7-8/h8-9H,5-7H2,1-4H3
InChIKeyXVQCOFFUTXDUPU-UHFFFAOYSA-N
MW152.28 g/mol
LogP3.47
Rot. Bonds1

About 3-ethyl-1,6,6-trimethylbicyclo[3.1.0]hexane

3-ethyl-1,6,6-trimethylbicyclo[3.1.0]hexane (PubChem CID 22755364) has the molecular formula C11H20 and a molecular weight of 152.28 g/mol. Its IUPAC name is 3-ethyl-1,6,6-trimethylbicyclo[3.1.0]hexane.

Molecular Properties

Compound Name3-ethyl-1,6,6-trimethylbicyclo[3.1.0]hexane
PubChem CID22755364
Molecular FormulaC11H20
Molecular Weight152.28 g/mol
Exact Mass152.16
IUPAC Name3-ethyl-1,6,6-trimethylbicyclo[3.1.0]hexane
SMILESCCC1CC2C(C)(C)C2(C)C1
InChIInChI=1S/C11H20/c1-5-8-6-9-10(2,3)11(9,4)7-8/h8-9H,5-7H2,1-4H3
InChIKeyXVQCOFFUTXDUPU-UHFFFAOYSA-N
XLogP3.47
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds1
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500152.28
LogP ≤ 53.47
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

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Related Compounds

ethanol;3-ethyl-1,6,6-trimethylbicyclo[3.1.0]hexane
CID 22755363
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Frequently Asked Questions

What is the IUPAC name of 3-ethyl-1,6,6-trimethylbicyclo[3.1.0]hexane?
The IUPAC name of 3-ethyl-1,6,6-trimethylbicyclo[3.1.0]hexane (CID 22755364) is 3-ethyl-1,6,6-trimethylbicyclo[3.1.0]hexane.
What is the SMILES notation for 3-ethyl-1,6,6-trimethylbicyclo[3.1.0]hexane?
The canonical SMILES for 3-ethyl-1,6,6-trimethylbicyclo[3.1.0]hexane is CCC1CC2C(C)(C)C2(C)C1.
What is the InChIKey of 3-ethyl-1,6,6-trimethylbicyclo[3.1.0]hexane?
The InChIKey is XVQCOFFUTXDUPU-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H20/c1-5-8-6-9-10(2,3)11(9,4)7-8/h8-9H,5-7H2,1-4H3.
What are the key properties of 3-ethyl-1,6,6-trimethylbicyclo[3.1.0]hexane?
3-ethyl-1,6,6-trimethylbicyclo[3.1.0]hexane has a molecular weight of 152.28 g/mol, XLogP of 3.47, 1 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 3-ethyl-1,6,6-trimethylbicyclo[3.1.0]hexane is sourced from PubChem (CID 22755364), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).