1,4-diethylbicyclo[2.2.0]hexane

C10H18 — CID 123634902

IUPAC1,4-diethylbicyclo[2.2.0]hexane
SMILESCCC12CCC1(CC)CC2
InChIInChI=1S/C10H18/c1-3-9-5-7-10(9,4-2)8-6-9/h3-8H2,1-2H3
InChIKeyWOEHIERSNKZKHK-UHFFFAOYSA-N
MW138.25 g/mol
LogP3.37
Rot. Bonds2

About 1,4-diethylbicyclo[2.2.0]hexane

1,4-diethylbicyclo[2.2.0]hexane (PubChem CID 123634902) has the molecular formula C10H18 and a molecular weight of 138.25 g/mol. Its IUPAC name is 1,4-diethylbicyclo[2.2.0]hexane.

Molecular Properties

Compound Name1,4-diethylbicyclo[2.2.0]hexane
PubChem CID123634902
Molecular FormulaC10H18
Molecular Weight138.25 g/mol
Exact Mass138.14
IUPAC Name1,4-diethylbicyclo[2.2.0]hexane
SMILESCCC12CCC1(CC)CC2
InChIInChI=1S/C10H18/c1-3-9-5-7-10(9,4-2)8-6-9/h3-8H2,1-2H3
InChIKeyWOEHIERSNKZKHK-UHFFFAOYSA-N
XLogP3.37
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds2
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500138.25
LogP ≤ 53.37
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

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Frequently Asked Questions

What is the IUPAC name of 1,4-diethylbicyclo[2.2.0]hexane?
The IUPAC name of 1,4-diethylbicyclo[2.2.0]hexane (CID 123634902) is 1,4-diethylbicyclo[2.2.0]hexane.
What is the SMILES notation for 1,4-diethylbicyclo[2.2.0]hexane?
The canonical SMILES for 1,4-diethylbicyclo[2.2.0]hexane is CCC12CCC1(CC)CC2.
What is the InChIKey of 1,4-diethylbicyclo[2.2.0]hexane?
The InChIKey is WOEHIERSNKZKHK-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H18/c1-3-9-5-7-10(9,4-2)8-6-9/h3-8H2,1-2H3.
What are the key properties of 1,4-diethylbicyclo[2.2.0]hexane?
1,4-diethylbicyclo[2.2.0]hexane has a molecular weight of 138.25 g/mol, XLogP of 3.37, 2 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 1,4-diethylbicyclo[2.2.0]hexane is sourced from PubChem (CID 123634902), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).