3,4-diethyl-1,3,6-trimethylbicyclo[3.1.0]hexane

C13H24 — CID 158219736

IUPAC3,4-diethyl-1,3,6-trimethylbicyclo[3.1.0]hexane
SMILESCCC1C2C(C)C2(C)CC1(C)CC
InChIInChI=1S/C13H24/c1-6-10-11-9(3)13(11,5)8-12(10,4)7-2/h9-11H,6-8H2,1-5H3
InChIKeyGDCGXCLLULJBDQ-UHFFFAOYSA-N
MW180.33 g/mol
LogP4.10
Rot. Bonds2

About 3,4-diethyl-1,3,6-trimethylbicyclo[3.1.0]hexane

3,4-diethyl-1,3,6-trimethylbicyclo[3.1.0]hexane (PubChem CID 158219736) has the molecular formula C13H24 and a molecular weight of 180.33 g/mol. Its IUPAC name is 3,4-diethyl-1,3,6-trimethylbicyclo[3.1.0]hexane.

Molecular Properties

Compound Name3,4-diethyl-1,3,6-trimethylbicyclo[3.1.0]hexane
PubChem CID158219736
Molecular FormulaC13H24
Molecular Weight180.33 g/mol
Exact Mass180.19
IUPAC Name3,4-diethyl-1,3,6-trimethylbicyclo[3.1.0]hexane
SMILESCCC1C2C(C)C2(C)CC1(C)CC
InChIInChI=1S/C13H24/c1-6-10-11-9(3)13(11,5)8-12(10,4)7-2/h9-11H,6-8H2,1-5H3
InChIKeyGDCGXCLLULJBDQ-UHFFFAOYSA-N
XLogP4.10
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500180.33
LogP ≤ 54.10
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

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Related Compounds

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CID 177128711
1-ethyl-1,2-dimethylcyclopropane
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CID 123294287
12-ethyl-1,3,4,5,6,7,8,9,10,13,14,15,16,17,18,19-hexadecamethyl-6-propan-2-yloctacyclo[9.8.0.03,18.04,17.05,16.07,15.08,14.09,13]nonadecane
CID 123250463
1,3-diethyl-1,2-dimethylcyclohexane
CID 123496519
1-ethyl-1,2,5-trimethylcyclohexane
CID 123642131
5-ethyl-1-methylspiro[bicyclo[2.1.0]pentane-3,1'-cyclopropane]
CID 123949547
2-(2-ethyl-1-methylcyclopropyl)-1,1,3-trimethylcyclopropane
CID 123601858
[1-(5-ethyl-2,2,4,4,6-pentamethylcyclohexyl)-3-methylbutan-2-yl]phosphane
CID 131981008
1,2,5-triethyl-3,4-dimethylbicyclo[2.1.0]pentane
CID 91351745
(2R)-3-ethyl-2,3-dimethylazetidine
CID 146985830
3-ethyl-1,3-dimethylbicyclo[2.1.0]pentane
CID 123276891

Frequently Asked Questions

What is the IUPAC name of 3,4-diethyl-1,3,6-trimethylbicyclo[3.1.0]hexane?
The IUPAC name of 3,4-diethyl-1,3,6-trimethylbicyclo[3.1.0]hexane (CID 158219736) is 3,4-diethyl-1,3,6-trimethylbicyclo[3.1.0]hexane.
What is the SMILES notation for 3,4-diethyl-1,3,6-trimethylbicyclo[3.1.0]hexane?
The canonical SMILES for 3,4-diethyl-1,3,6-trimethylbicyclo[3.1.0]hexane is CCC1C2C(C)C2(C)CC1(C)CC.
What is the InChIKey of 3,4-diethyl-1,3,6-trimethylbicyclo[3.1.0]hexane?
The InChIKey is GDCGXCLLULJBDQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H24/c1-6-10-11-9(3)13(11,5)8-12(10,4)7-2/h9-11H,6-8H2,1-5H3.
What are the key properties of 3,4-diethyl-1,3,6-trimethylbicyclo[3.1.0]hexane?
3,4-diethyl-1,3,6-trimethylbicyclo[3.1.0]hexane has a molecular weight of 180.33 g/mol, XLogP of 4.10, 2 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 3,4-diethyl-1,3,6-trimethylbicyclo[3.1.0]hexane is sourced from PubChem (CID 158219736), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).