3,6-diethyl-3,6-dimethyltricyclo[3.1.0.02,4]hexane

C12H20 — CID 572349

IUPAC3,6-diethyl-3,6-dimethyltricyclo[3.1.0.02,4]hexane
SMILESCCC1(C)C2C1C1C2C1(C)CC
InChIInChI=1S/C12H20/c1-5-11(3)7-8(11)10-9(7)12(10,4)6-2/h7-10H,5-6H2,1-4H3
InChIKeyRXYJIBGYGXRRTJ-UHFFFAOYSA-N
MW164.29 g/mol
LogP3.32
Rot. Bonds2

About 3,6-diethyl-3,6-dimethyltricyclo[3.1.0.02,4]hexane

3,6-diethyl-3,6-dimethyltricyclo[3.1.0.02,4]hexane (PubChem CID 572349) has the molecular formula C12H20 and a molecular weight of 164.29 g/mol. Its IUPAC name is 3,6-diethyl-3,6-dimethyltricyclo[3.1.0.02,4]hexane.

Molecular Properties

Compound Name3,6-diethyl-3,6-dimethyltricyclo[3.1.0.02,4]hexane
PubChem CID572349
Molecular FormulaC12H20
Molecular Weight164.29 g/mol
Exact Mass164.16
IUPAC Name3,6-diethyl-3,6-dimethyltricyclo[3.1.0.02,4]hexane
SMILESCCC1(C)C2C1C1C2C1(C)CC
InChIInChI=1S/C12H20/c1-5-11(3)7-8(11)10-9(7)12(10,4)6-2/h7-10H,5-6H2,1-4H3
InChIKeyRXYJIBGYGXRRTJ-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 3,6-diethyl-3,6-dimethyltricyclo[3.1.0.02,4]hexane?
The IUPAC name of 3,6-diethyl-3,6-dimethyltricyclo[3.1.0.02,4]hexane (CID 572349) is 3,6-diethyl-3,6-dimethyltricyclo[3.1.0.02,4]hexane.
What is the SMILES notation for 3,6-diethyl-3,6-dimethyltricyclo[3.1.0.02,4]hexane?
The canonical SMILES for 3,6-diethyl-3,6-dimethyltricyclo[3.1.0.02,4]hexane is CCC1(C)C2C1C1C2C1(C)CC.
What is the InChIKey of 3,6-diethyl-3,6-dimethyltricyclo[3.1.0.02,4]hexane?
The InChIKey is RXYJIBGYGXRRTJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H20/c1-5-11(3)7-8(11)10-9(7)12(10,4)6-2/h7-10H,5-6H2,1-4H3.
What are the key properties of 3,6-diethyl-3,6-dimethyltricyclo[3.1.0.02,4]hexane?
3,6-diethyl-3,6-dimethyltricyclo[3.1.0.02,4]hexane 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 3,6-diethyl-3,6-dimethyltricyclo[3.1.0.02,4]hexane is sourced from PubChem (CID 572349), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).