6-ethyl-1,2,2,4,4-pentamethylbicyclo[3.1.0]hexane

C13H24 — CID 123368889

IUPAC6-ethyl-1,2,2,4,4-pentamethylbicyclo[3.1.0]hexane
SMILESCCC1C2C(C)(C)CC(C)(C)C12C
InChIInChI=1S/C13H24/c1-7-9-10-11(2,3)8-12(4,5)13(9,10)6/h9-10H,7-8H2,1-6H3
InChIKeyCRQQOWVSAHYFPQ-UHFFFAOYSA-N
MW180.33 g/mol
LogP4.10
Rot. Bonds1

About 6-ethyl-1,2,2,4,4-pentamethylbicyclo[3.1.0]hexane

6-ethyl-1,2,2,4,4-pentamethylbicyclo[3.1.0]hexane (PubChem CID 123368889) has the molecular formula C13H24 and a molecular weight of 180.33 g/mol. Its IUPAC name is 6-ethyl-1,2,2,4,4-pentamethylbicyclo[3.1.0]hexane.

Molecular Properties

Compound Name6-ethyl-1,2,2,4,4-pentamethylbicyclo[3.1.0]hexane
PubChem CID123368889
Molecular FormulaC13H24
Molecular Weight180.33 g/mol
Exact Mass180.19
IUPAC Name6-ethyl-1,2,2,4,4-pentamethylbicyclo[3.1.0]hexane
SMILESCCC1C2C(C)(C)CC(C)(C)C12C
InChIInChI=1S/C13H24/c1-7-9-10-11(2,3)8-12(4,5)13(9,10)6/h9-10H,7-8H2,1-6H3
InChIKeyCRQQOWVSAHYFPQ-UHFFFAOYSA-N
XLogP4.10
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds1
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

5-ethyl-1-methylspiro[bicyclo[2.1.0]pentane-3,1'-cyclopropane]
CID 123949547
(1S,2S)-2,6-diethyl-1-methylbicyclo[3.1.0]hexane-2-thiol
CID 135208488
7-ethyl-1-methylbicyclo[2.2.1]heptane
CID 143617242
2,3-diethyl-1-methyl-1-propylcyclopropane
CID 91292354
2-ethyl-7,7-dimethyltetraspiro[2.0.0.0.26.15.14.13]undecane
CID 123467869
3,4-diethyl-1,3,6-trimethylbicyclo[3.1.0]hexane
CID 158219736
[1-(5-ethyl-2,2,4,4,6-pentamethylcyclohexyl)-3-methylbutan-2-yl]phosphane
CID 131981008
1-ethyl-1,2,2-trimethylcyclopropane
CID 13115325
2,3-diethyl-1,1-difluorocyclopropane
CID 24974569
2-ethyl-1,1,4,5,5-pentamethylcyclohexane
CID 123866855
1,2,5-triethyl-3,4-dimethylbicyclo[2.1.0]pentane
CID 91351745
azane;2-ethyl-1,1-dimethylcyclobutane
CID 174315226

Frequently Asked Questions

What is the IUPAC name of 6-ethyl-1,2,2,4,4-pentamethylbicyclo[3.1.0]hexane?
The IUPAC name of 6-ethyl-1,2,2,4,4-pentamethylbicyclo[3.1.0]hexane (CID 123368889) is 6-ethyl-1,2,2,4,4-pentamethylbicyclo[3.1.0]hexane.
What is the SMILES notation for 6-ethyl-1,2,2,4,4-pentamethylbicyclo[3.1.0]hexane?
The canonical SMILES for 6-ethyl-1,2,2,4,4-pentamethylbicyclo[3.1.0]hexane is CCC1C2C(C)(C)CC(C)(C)C12C.
What is the InChIKey of 6-ethyl-1,2,2,4,4-pentamethylbicyclo[3.1.0]hexane?
The InChIKey is CRQQOWVSAHYFPQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H24/c1-7-9-10-11(2,3)8-12(4,5)13(9,10)6/h9-10H,7-8H2,1-6H3.
What are the key properties of 6-ethyl-1,2,2,4,4-pentamethylbicyclo[3.1.0]hexane?
6-ethyl-1,2,2,4,4-pentamethylbicyclo[3.1.0]hexane has a molecular weight of 180.33 g/mol, XLogP of 4.10, 1 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 6-ethyl-1,2,2,4,4-pentamethylbicyclo[3.1.0]hexane is sourced from PubChem (CID 123368889), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).