1,2,5-triethyl-3,4-dimethylbicyclo[2.1.0]pentane

C13H24 — CID 91351745

IUPAC1,2,5-triethyl-3,4-dimethylbicyclo[2.1.0]pentane
SMILESCCC1C(C)C2(C)C(CC)C12CC
InChIInChI=1S/C13H24/c1-6-10-9(4)12(5)11(7-2)13(10,12)8-3/h9-11H,6-8H2,1-5H3
InChIKeyDFWSQEKJFTYLHA-UHFFFAOYSA-N
MW180.34 g/mol
LogP4.10
Rot. Bonds3

About 1,2,5-triethyl-3,4-dimethylbicyclo[2.1.0]pentane

1,2,5-triethyl-3,4-dimethylbicyclo[2.1.0]pentane (PubChem CID 91351745) has the molecular formula C13H24 and a molecular weight of 180.34 g/mol. Its IUPAC name is 1,2,5-triethyl-3,4-dimethylbicyclo[2.1.0]pentane.

Molecular Properties

Compound Name1,2,5-triethyl-3,4-dimethylbicyclo[2.1.0]pentane
PubChem CID91351745
Molecular FormulaC13H24
Molecular Weight180.34 g/mol
Exact Mass180.19
IUPAC Name1,2,5-triethyl-3,4-dimethylbicyclo[2.1.0]pentane
SMILESCCC1C(C)C2(C)C(CC)C12CC
InChIInChI=1S/C13H24/c1-6-10-9(4)12(5)11(7-2)13(10,12)8-3/h9-11H,6-8H2,1-5H3
InChIKeyDFWSQEKJFTYLHA-UHFFFAOYSA-N
XLogP4.10
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds3
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500180.34
LogP ≤ 54.10
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

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Related Compounds

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CID 123294287
3,4-diethyl-1,3,6-trimethylbicyclo[3.1.0]hexane
CID 158219736
(1R,2R,11S,14R)-11,13-diethyl-10,11,14-trimethylpentacyclo[6.5.1.02,7.09,12.012,14]tetradecane
CID 163664655
1,2-diethyl-1-methyl-3-propylcyclopropane
CID 90731440
2,3-diethyl-1-methyl-1-propylcyclopropane
CID 91292354
1,3-diethyl-1-methyl-2,2-di(propan-2-yl)cyclopropane
CID 123596430
6-ethyl-1,2,2,4,4-pentamethylbicyclo[3.1.0]hexane
CID 123368889
[1-(5-ethyl-2,2,4,4,6-pentamethylcyclohexyl)-3-methylbutan-2-yl]phosphane
CID 131981008
2,3-diethyl-1,1-difluorocyclopropane
CID 24974569
(1S,2S)-2,6-diethyl-1-methylbicyclo[3.1.0]hexane-2-thiol
CID 135208488
1,2,2,6-tetramethyl-5-propylidenebicyclo[2.2.0]hexane
CID 123855076
6-ethyl-2,3,3,4,6-pentamethylbicyclo[3.1.0]hexane
CID 143720874

Frequently Asked Questions

What is the IUPAC name of 1,2,5-triethyl-3,4-dimethylbicyclo[2.1.0]pentane?
The IUPAC name of 1,2,5-triethyl-3,4-dimethylbicyclo[2.1.0]pentane (CID 91351745) is 1,2,5-triethyl-3,4-dimethylbicyclo[2.1.0]pentane.
What is the SMILES notation for 1,2,5-triethyl-3,4-dimethylbicyclo[2.1.0]pentane?
The canonical SMILES for 1,2,5-triethyl-3,4-dimethylbicyclo[2.1.0]pentane is CCC1C(C)C2(C)C(CC)C12CC.
What is the InChIKey of 1,2,5-triethyl-3,4-dimethylbicyclo[2.1.0]pentane?
The InChIKey is DFWSQEKJFTYLHA-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H24/c1-6-10-9(4)12(5)11(7-2)13(10,12)8-3/h9-11H,6-8H2,1-5H3.
What are the key properties of 1,2,5-triethyl-3,4-dimethylbicyclo[2.1.0]pentane?
1,2,5-triethyl-3,4-dimethylbicyclo[2.1.0]pentane has a molecular weight of 180.34 g/mol, XLogP of 4.10, 3 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 1,2,5-triethyl-3,4-dimethylbicyclo[2.1.0]pentane is sourced from PubChem (CID 91351745), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).