2-ethyl-6,6-dimethylbicyclo[3.1.0]hexane

C10H18 — CID 123448381

IUPAC2-ethyl-6,6-dimethylbicyclo[3.1.0]hexane
SMILESCCC1CCC2C1C2(C)C
InChIInChI=1S/C10H18/c1-4-7-5-6-8-9(7)10(8,2)3/h7-9H,4-6H2,1-3H3
InChIKeyYPYXOTKNANVWSW-UHFFFAOYSA-N
MW138.25 g/mol
LogP3.08
Rot. Bonds1

About 2-ethyl-6,6-dimethylbicyclo[3.1.0]hexane

2-ethyl-6,6-dimethylbicyclo[3.1.0]hexane (PubChem CID 123448381) has the molecular formula C10H18 and a molecular weight of 138.25 g/mol. Its IUPAC name is 2-ethyl-6,6-dimethylbicyclo[3.1.0]hexane.

Molecular Properties

Compound Name2-ethyl-6,6-dimethylbicyclo[3.1.0]hexane
PubChem CID123448381
Molecular FormulaC10H18
Molecular Weight138.25 g/mol
Exact Mass138.14
IUPAC Name2-ethyl-6,6-dimethylbicyclo[3.1.0]hexane
SMILESCCC1CCC2C1C2(C)C
InChIInChI=1S/C10H18/c1-4-7-5-6-8-9(7)10(8,2)3/h7-9H,4-6H2,1-3H3
InChIKeyYPYXOTKNANVWSW-UHFFFAOYSA-N
XLogP3.08
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds1
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500138.25
LogP ≤ 53.08
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

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Frequently Asked Questions

What is the IUPAC name of 2-ethyl-6,6-dimethylbicyclo[3.1.0]hexane?
The IUPAC name of 2-ethyl-6,6-dimethylbicyclo[3.1.0]hexane (CID 123448381) is 2-ethyl-6,6-dimethylbicyclo[3.1.0]hexane.
What is the SMILES notation for 2-ethyl-6,6-dimethylbicyclo[3.1.0]hexane?
The canonical SMILES for 2-ethyl-6,6-dimethylbicyclo[3.1.0]hexane is CCC1CCC2C1C2(C)C.
What is the InChIKey of 2-ethyl-6,6-dimethylbicyclo[3.1.0]hexane?
The InChIKey is YPYXOTKNANVWSW-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H18/c1-4-7-5-6-8-9(7)10(8,2)3/h7-9H,4-6H2,1-3H3.
What are the key properties of 2-ethyl-6,6-dimethylbicyclo[3.1.0]hexane?
2-ethyl-6,6-dimethylbicyclo[3.1.0]hexane has a molecular weight of 138.25 g/mol, XLogP of 3.08, 1 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 2-ethyl-6,6-dimethylbicyclo[3.1.0]hexane is sourced from PubChem (CID 123448381), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).