2,6-diethyl-3-methyltricyclo[3.2.0.02,4]heptane

C12H20 — CID 123804312

IUPAC2,6-diethyl-3-methyltricyclo[3.2.0.02,4]heptane
SMILESCCC1CC2C1C1C(C)C21CC
InChIInChI=1S/C12H20/c1-4-8-6-9-10(8)11-7(3)12(9,11)5-2/h7-11H,4-6H2,1-3H3
InChIKeyKBUJEQXWSPXKGN-UHFFFAOYSA-N
MW164.29 g/mol
LogP3.32
Rot. Bonds2

About 2,6-diethyl-3-methyltricyclo[3.2.0.02,4]heptane

2,6-diethyl-3-methyltricyclo[3.2.0.02,4]heptane (PubChem CID 123804312) has the molecular formula C12H20 and a molecular weight of 164.29 g/mol. Its IUPAC name is 2,6-diethyl-3-methyltricyclo[3.2.0.02,4]heptane.

Molecular Properties

Compound Name2,6-diethyl-3-methyltricyclo[3.2.0.02,4]heptane
PubChem CID123804312
Molecular FormulaC12H20
Molecular Weight164.29 g/mol
Exact Mass164.16
IUPAC Name2,6-diethyl-3-methyltricyclo[3.2.0.02,4]heptane
SMILESCCC1CC2C1C1C(C)C21CC
InChIInChI=1S/C12H20/c1-4-8-6-9-10(8)11-7(3)12(9,11)5-2/h7-11H,4-6H2,1-3H3
InChIKeyKBUJEQXWSPXKGN-UHFFFAOYSA-N
XLogP3.32
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds2
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500164.29
LogP ≤ 53.32
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

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Frequently Asked Questions

What is the IUPAC name of 2,6-diethyl-3-methyltricyclo[3.2.0.02,4]heptane?
The IUPAC name of 2,6-diethyl-3-methyltricyclo[3.2.0.02,4]heptane (CID 123804312) is 2,6-diethyl-3-methyltricyclo[3.2.0.02,4]heptane.
What is the SMILES notation for 2,6-diethyl-3-methyltricyclo[3.2.0.02,4]heptane?
The canonical SMILES for 2,6-diethyl-3-methyltricyclo[3.2.0.02,4]heptane is CCC1CC2C1C1C(C)C21CC.
What is the InChIKey of 2,6-diethyl-3-methyltricyclo[3.2.0.02,4]heptane?
The InChIKey is KBUJEQXWSPXKGN-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H20/c1-4-8-6-9-10(8)11-7(3)12(9,11)5-2/h7-11H,4-6H2,1-3H3.
What are the key properties of 2,6-diethyl-3-methyltricyclo[3.2.0.02,4]heptane?
2,6-diethyl-3-methyltricyclo[3.2.0.02,4]heptane has a molecular weight of 164.29 g/mol, XLogP of 3.32, 2 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 2,6-diethyl-3-methyltricyclo[3.2.0.02,4]heptane is sourced from PubChem (CID 123804312), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).