5-ethyl-6-methylbicyclo[2.1.1]hexane

C9H16 — CID 123324829

IUPAC5-ethyl-6-methylbicyclo[2.1.1]hexane
SMILESCCC1C2CCC1C2C
InChIInChI=1S/C9H16/c1-3-7-8-4-5-9(7)6(8)2/h6-9H,3-5H2,1-2H3
InChIKeyKWDVPOYQXNKYMB-UHFFFAOYSA-N
MW124.23 g/mol
LogP2.69
Rot. Bonds1

About 5-ethyl-6-methylbicyclo[2.1.1]hexane

5-ethyl-6-methylbicyclo[2.1.1]hexane (PubChem CID 123324829) has the molecular formula C9H16 and a molecular weight of 124.23 g/mol. Its IUPAC name is 5-ethyl-6-methylbicyclo[2.1.1]hexane.

Molecular Properties

Compound Name5-ethyl-6-methylbicyclo[2.1.1]hexane
PubChem CID123324829
Molecular FormulaC9H16
Molecular Weight124.23 g/mol
Exact Mass124.13
IUPAC Name5-ethyl-6-methylbicyclo[2.1.1]hexane
SMILESCCC1C2CCC1C2C
InChIInChI=1S/C9H16/c1-3-7-8-4-5-9(7)6(8)2/h6-9H,3-5H2,1-2H3
InChIKeyKWDVPOYQXNKYMB-UHFFFAOYSA-N
XLogP2.69
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds1
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500124.23
LogP ≤ 52.69
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

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Frequently Asked Questions

What is the IUPAC name of 5-ethyl-6-methylbicyclo[2.1.1]hexane?
The IUPAC name of 5-ethyl-6-methylbicyclo[2.1.1]hexane (CID 123324829) is 5-ethyl-6-methylbicyclo[2.1.1]hexane.
What is the SMILES notation for 5-ethyl-6-methylbicyclo[2.1.1]hexane?
The canonical SMILES for 5-ethyl-6-methylbicyclo[2.1.1]hexane is CCC1C2CCC1C2C.
What is the InChIKey of 5-ethyl-6-methylbicyclo[2.1.1]hexane?
The InChIKey is KWDVPOYQXNKYMB-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H16/c1-3-7-8-4-5-9(7)6(8)2/h6-9H,3-5H2,1-2H3.
What are the key properties of 5-ethyl-6-methylbicyclo[2.1.1]hexane?
5-ethyl-6-methylbicyclo[2.1.1]hexane has a molecular weight of 124.23 g/mol, XLogP of 2.69, 1 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 5-ethyl-6-methylbicyclo[2.1.1]hexane is sourced from PubChem (CID 123324829), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).