6-ethyl-2,3,3,4,6-pentamethylbicyclo[3.1.0]hexane

C13H24 — CID 143720874

IUPAC6-ethyl-2,3,3,4,6-pentamethylbicyclo[3.1.0]hexane
SMILESCCC1(C)C2C(C)C(C)(C)C(C)C21
InChIInChI=1S/C13H24/c1-7-13(6)10-8(2)12(4,5)9(3)11(10)13/h8-11H,7H2,1-6H3
InChIKeyVRFMHRVBICVIIR-UHFFFAOYSA-N
MW180.33 g/mol
LogP3.96
Rot. Bonds1

About 6-ethyl-2,3,3,4,6-pentamethylbicyclo[3.1.0]hexane

6-ethyl-2,3,3,4,6-pentamethylbicyclo[3.1.0]hexane (PubChem CID 143720874) has the molecular formula C13H24 and a molecular weight of 180.33 g/mol. Its IUPAC name is 6-ethyl-2,3,3,4,6-pentamethylbicyclo[3.1.0]hexane.

Molecular Properties

Compound Name6-ethyl-2,3,3,4,6-pentamethylbicyclo[3.1.0]hexane
PubChem CID143720874
Molecular FormulaC13H24
Molecular Weight180.33 g/mol
Exact Mass180.19
IUPAC Name6-ethyl-2,3,3,4,6-pentamethylbicyclo[3.1.0]hexane
SMILESCCC1(C)C2C(C)C(C)(C)C(C)C21
InChIInChI=1S/C13H24/c1-7-13(6)10-8(2)12(4,5)9(3)11(10)13/h8-11H,7H2,1-6H3
InChIKeyVRFMHRVBICVIIR-UHFFFAOYSA-N
XLogP3.96
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 ≤ 53.96
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

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Related Compounds

2-ethyl-2,3,5-trimethylbicyclo[2.1.0]pentane
CID 123929300
1,1,2,3,4,5-hexamethylcyclopentane
CID 158781984
3,3-diethyl-4,5,7,7-tetramethyltricyclo[4.1.0.02,4]heptane
CID 123223555
(1S,2S,6R)-1-ethyl-1,2,6-trimethyl-3-methylidenecyclohexane
CID 157314245
2,4-dimethyl-2-propylbicyclo[1.1.0]butane
CID 91359632
2-ethyl-2-methyladamantane
CID 21349236
1,2-diethyl-4-methylbicyclo[1.1.0]butane
CID 123294287
4-ethyl-3,4,5-trimethyl-2-methylidenecyclohexan-1-amine
CID 143547151
2-chloro-1,1,3-trimethylcyclopropane
CID 557870
trans-(2R,3S)-2-fluoro-1,1,3-trimethylcyclopropane
CID 134934913
(2R)-2,3-diethyl-2,6,6-trimethylbicyclo[3.1.1]heptane
CID 143011520
(1R)-1-ethyl-1,2-dimethylcyclopropane
CID 177128711

Frequently Asked Questions

What is the IUPAC name of 6-ethyl-2,3,3,4,6-pentamethylbicyclo[3.1.0]hexane?
The IUPAC name of 6-ethyl-2,3,3,4,6-pentamethylbicyclo[3.1.0]hexane (CID 143720874) is 6-ethyl-2,3,3,4,6-pentamethylbicyclo[3.1.0]hexane.
What is the SMILES notation for 6-ethyl-2,3,3,4,6-pentamethylbicyclo[3.1.0]hexane?
The canonical SMILES for 6-ethyl-2,3,3,4,6-pentamethylbicyclo[3.1.0]hexane is CCC1(C)C2C(C)C(C)(C)C(C)C21.
What is the InChIKey of 6-ethyl-2,3,3,4,6-pentamethylbicyclo[3.1.0]hexane?
The InChIKey is VRFMHRVBICVIIR-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H24/c1-7-13(6)10-8(2)12(4,5)9(3)11(10)13/h8-11H,7H2,1-6H3.
What are the key properties of 6-ethyl-2,3,3,4,6-pentamethylbicyclo[3.1.0]hexane?
6-ethyl-2,3,3,4,6-pentamethylbicyclo[3.1.0]hexane has a molecular weight of 180.33 g/mol, XLogP of 3.96, 1 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 6-ethyl-2,3,3,4,6-pentamethylbicyclo[3.1.0]hexane is sourced from PubChem (CID 143720874), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).