5-ethyl-1-(3-methylbutan-2-yl)bicyclo[2.1.1]hexane

C13H24 — CID 123685756

IUPAC5-ethyl-1-(3-methylbutan-2-yl)bicyclo[2.1.1]hexane
SMILESCCC1C2CCC1(C(C)C(C)C)C2
InChIInChI=1S/C13H24/c1-5-12-11-6-7-13(12,8-11)10(4)9(2)3/h9-12H,5-8H2,1-4H3
InChIKeyJIZSOUFXEUCIDB-UHFFFAOYSA-N
MW180.33 g/mol
LogP4.10
Rot. Bonds3

About 5-ethyl-1-(3-methylbutan-2-yl)bicyclo[2.1.1]hexane

5-ethyl-1-(3-methylbutan-2-yl)bicyclo[2.1.1]hexane (PubChem CID 123685756) has the molecular formula C13H24 and a molecular weight of 180.33 g/mol. Its IUPAC name is 5-ethyl-1-(3-methylbutan-2-yl)bicyclo[2.1.1]hexane.

Molecular Properties

Compound Name5-ethyl-1-(3-methylbutan-2-yl)bicyclo[2.1.1]hexane
PubChem CID123685756
Molecular FormulaC13H24
Molecular Weight180.33 g/mol
Exact Mass180.19
IUPAC Name5-ethyl-1-(3-methylbutan-2-yl)bicyclo[2.1.1]hexane
SMILESCCC1C2CCC1(C(C)C(C)C)C2
InChIInChI=1S/C13H24/c1-5-12-11-6-7-13(12,8-11)10(4)9(2)3/h9-12H,5-8H2,1-4H3
InChIKeyJIZSOUFXEUCIDB-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 ≤ 500180.33
LogP ≤ 54.10
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

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Related Compounds

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CID 143617242
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CID 90721396
2,6-diethyl-1-methylbicyclo[3.1.1]heptane
CID 123140222
1-pentan-3-ylbicyclo[2.1.0]pentane
CID 123671929
1-pentan-3-ylbicyclo[2.2.0]hexane
CID 123433061
1-(1-bromo-2-methylpropyl)-4-ethylcyclohexane
CID 79298120
1-(1-bromoethyl)-3-ethylcyclopentane
CID 66470468
1-(2,3-dimethylbutyl)-1-methyl-3-(2-methylcyclopropyl)cyclopentane
CID 163796693
2-ethyl-3,3,6,6-tetramethyl-1,2,4,4a,5,7,8,8a-octahydronaphthalene
CID 134158825
3-ethyl-1-(3-hydroxybutan-2-yl)cyclopentane-1-carbonitrile
CID 130514272
1-ethyl-2-[(2S)-3-iodobutan-2-yl]spiro[2.2]pentane
CID 121258369
1-ethyl-2-methyl-4-propan-2-ylcyclohexane
CID 90923816

Frequently Asked Questions

What is the IUPAC name of 5-ethyl-1-(3-methylbutan-2-yl)bicyclo[2.1.1]hexane?
The IUPAC name of 5-ethyl-1-(3-methylbutan-2-yl)bicyclo[2.1.1]hexane (CID 123685756) is 5-ethyl-1-(3-methylbutan-2-yl)bicyclo[2.1.1]hexane.
What is the SMILES notation for 5-ethyl-1-(3-methylbutan-2-yl)bicyclo[2.1.1]hexane?
The canonical SMILES for 5-ethyl-1-(3-methylbutan-2-yl)bicyclo[2.1.1]hexane is CCC1C2CCC1(C(C)C(C)C)C2.
What is the InChIKey of 5-ethyl-1-(3-methylbutan-2-yl)bicyclo[2.1.1]hexane?
The InChIKey is JIZSOUFXEUCIDB-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H24/c1-5-12-11-6-7-13(12,8-11)10(4)9(2)3/h9-12H,5-8H2,1-4H3.
What are the key properties of 5-ethyl-1-(3-methylbutan-2-yl)bicyclo[2.1.1]hexane?
5-ethyl-1-(3-methylbutan-2-yl)bicyclo[2.1.1]hexane has a molecular weight of 180.33 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 5-ethyl-1-(3-methylbutan-2-yl)bicyclo[2.1.1]hexane is sourced from PubChem (CID 123685756), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).