3,3-diethyl-4,5,7,7-tetramethyltricyclo[4.1.0.02,4]heptane

C15H26 — CID 123223555

IUPAC3,3-diethyl-4,5,7,7-tetramethyltricyclo[4.1.0.02,4]heptane
SMILESCCC1(CC)C2C3C(C(C)C21C)C3(C)C
InChIInChI=1S/C15H26/c1-7-15(8-2)12-11-10(13(11,4)5)9(3)14(12,15)6/h9-12H,7-8H2,1-6H3
InChIKeyWVGOKSUUAAPPRD-UHFFFAOYSA-N
MW206.37 g/mol
LogP4.35
Rot. Bonds2

About 3,3-diethyl-4,5,7,7-tetramethyltricyclo[4.1.0.02,4]heptane

3,3-diethyl-4,5,7,7-tetramethyltricyclo[4.1.0.02,4]heptane (PubChem CID 123223555) has the molecular formula C15H26 and a molecular weight of 206.37 g/mol. Its IUPAC name is 3,3-diethyl-4,5,7,7-tetramethyltricyclo[4.1.0.02,4]heptane.

Molecular Properties

Compound Name3,3-diethyl-4,5,7,7-tetramethyltricyclo[4.1.0.02,4]heptane
PubChem CID123223555
Molecular FormulaC15H26
Molecular Weight206.37 g/mol
Exact Mass206.20
IUPAC Name3,3-diethyl-4,5,7,7-tetramethyltricyclo[4.1.0.02,4]heptane
SMILESCCC1(CC)C2C3C(C(C)C21C)C3(C)C
InChIInChI=1S/C15H26/c1-7-15(8-2)12-11-10(13(11,4)5)9(3)14(12,15)6/h9-12H,7-8H2,1-6H3
InChIKeyWVGOKSUUAAPPRD-UHFFFAOYSA-N
XLogP4.35
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500206.37
LogP ≤ 54.35
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

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Related Compounds

6-ethyl-2,3,3,4,6-pentamethylbicyclo[3.1.0]hexane
CID 143720874
4,5,6,9,10,11-hexamethylhexacyclo[6.4.0.01,10.02,5.02,7.03,12]dodecane
CID 174043765
CID 59795660
CID 59795660
1,1-dibromo-2,2-diethyl-3-methylcyclopropane
CID 121274115
[(1R,3R)-2,2,3-trimethylcyclopropyl]methanol
CID 14202706
2-ethyl-2,3,5-trimethylbicyclo[2.1.0]pentane
CID 123929300
(1S,2R,5R,6R)-5-ethyl-2,6-dimethylbicyclo[3.1.0]hexan-2-ol
CID 143765864
[(2R,4R)-3,3-dimethyl-1-tricyclo[3.2.2.02,4]nonanyl]methanol
CID 7188315
[(2R,4S)-3,3-dimethyl-1-tricyclo[3.2.2.02,4]nonanyl]methanol
CID 11889225
1,2,3-trimethylcyclopropan-1-ol
CID 91184731
2-(2-ethyl-1-methylcyclopropyl)-1,1,3-trimethylcyclopropane
CID 123601858
1,2,5-triethyl-3,4-dimethylbicyclo[2.1.0]pentane
CID 91351745

Frequently Asked Questions

What is the IUPAC name of 3,3-diethyl-4,5,7,7-tetramethyltricyclo[4.1.0.02,4]heptane?
The IUPAC name of 3,3-diethyl-4,5,7,7-tetramethyltricyclo[4.1.0.02,4]heptane (CID 123223555) is 3,3-diethyl-4,5,7,7-tetramethyltricyclo[4.1.0.02,4]heptane.
What is the SMILES notation for 3,3-diethyl-4,5,7,7-tetramethyltricyclo[4.1.0.02,4]heptane?
The canonical SMILES for 3,3-diethyl-4,5,7,7-tetramethyltricyclo[4.1.0.02,4]heptane is CCC1(CC)C2C3C(C(C)C21C)C3(C)C.
What is the InChIKey of 3,3-diethyl-4,5,7,7-tetramethyltricyclo[4.1.0.02,4]heptane?
The InChIKey is WVGOKSUUAAPPRD-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H26/c1-7-15(8-2)12-11-10(13(11,4)5)9(3)14(12,15)6/h9-12H,7-8H2,1-6H3.
What are the key properties of 3,3-diethyl-4,5,7,7-tetramethyltricyclo[4.1.0.02,4]heptane?
3,3-diethyl-4,5,7,7-tetramethyltricyclo[4.1.0.02,4]heptane has a molecular weight of 206.37 g/mol, XLogP of 4.35, 2 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 3,3-diethyl-4,5,7,7-tetramethyltricyclo[4.1.0.02,4]heptane is sourced from PubChem (CID 123223555), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).