2,4-diethylbicyclo[4.1.0]hepta-1(6),2,4-triene;ethane;propane

C16H28 — CID 159438862

IUPAC2,4-diethylbicyclo[4.1.0]hepta-1(6),2,4-triene;ethane;propane
SMILESCC.CCC.CCc1cc(CC)c2c(c1)C2
InChIInChI=1S/C11H14.C3H8.C2H6/c1-3-8-5-9(4-2)11-7-10(11)6-8;1-3-2;1-2/h5-6H,3-4,7H2,1-2H3;3H2,1-2H3;1-2H3
InChIKeyLRXOPFDDVWEDPP-UHFFFAOYSA-N
MW220.40 g/mol
LogP5.16
Rot. Bonds2

About 2,4-diethylbicyclo[4.1.0]hepta-1(6),2,4-triene;ethane;propane

2,4-diethylbicyclo[4.1.0]hepta-1(6),2,4-triene;ethane;propane (PubChem CID 159438862) has the molecular formula C16H28 and a molecular weight of 220.40 g/mol. Its IUPAC name is 2,4-diethylbicyclo[4.1.0]hepta-1(6),2,4-triene;ethane;propane.

Molecular Properties

Compound Name2,4-diethylbicyclo[4.1.0]hepta-1(6),2,4-triene;ethane;propane
PubChem CID159438862
Molecular FormulaC16H28
Molecular Weight220.40 g/mol
Exact Mass220.22
IUPAC Name2,4-diethylbicyclo[4.1.0]hepta-1(6),2,4-triene;ethane;propane
SMILESCC.CCC.CCc1cc(CC)c2c(c1)C2
InChIInChI=1S/C11H14.C3H8.C2H6/c1-3-8-5-9(4-2)11-7-10(11)6-8;1-3-2;1-2/h5-6H,3-4,7H2,1-2H3;3H2,1-2H3;1-2H3
InChIKeyLRXOPFDDVWEDPP-UHFFFAOYSA-N
XLogP5.16
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500220.40
LogP ≤ 55.16
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

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Related Compounds

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Frequently Asked Questions

What is the IUPAC name of 2,4-diethylbicyclo[4.1.0]hepta-1(6),2,4-triene;ethane;propane?
The IUPAC name of 2,4-diethylbicyclo[4.1.0]hepta-1(6),2,4-triene;ethane;propane (CID 159438862) is 2,4-diethylbicyclo[4.1.0]hepta-1(6),2,4-triene;ethane;propane.
What is the SMILES notation for 2,4-diethylbicyclo[4.1.0]hepta-1(6),2,4-triene;ethane;propane?
The canonical SMILES for 2,4-diethylbicyclo[4.1.0]hepta-1(6),2,4-triene;ethane;propane is CC.CCC.CCc1cc(CC)c2c(c1)C2.
What is the InChIKey of 2,4-diethylbicyclo[4.1.0]hepta-1(6),2,4-triene;ethane;propane?
The InChIKey is LRXOPFDDVWEDPP-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H14.C3H8.C2H6/c1-3-8-5-9(4-2)11-7-10(11)6-8;1-3-2;1-2/h5-6H,3-4,7H2,1-2H3;3H2,1-2H3;1-2H3.
What are the key properties of 2,4-diethylbicyclo[4.1.0]hepta-1(6),2,4-triene;ethane;propane?
2,4-diethylbicyclo[4.1.0]hepta-1(6),2,4-triene;ethane;propane has a molecular weight of 220.40 g/mol, XLogP of 5.16, 2 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 2,4-diethylbicyclo[4.1.0]hepta-1(6),2,4-triene;ethane;propane is sourced from PubChem (CID 159438862), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).