6-(2-cyclohexylethyl)bicyclo[3.2.1]octane

C16H28 — CID 171097692

IUPAC6-(2-cyclohexylethyl)bicyclo[3.2.1]octane
SMILESC1CCC(CCC2CC3CCCC2C3)CC1
InChIInChI=1S/C16H28/c1-2-5-13(6-3-1)9-10-16-12-14-7-4-8-15(16)11-14/h13-16H,1-12H2
InChIKeyGYKLASCHHXERRI-UHFFFAOYSA-N
MW220.40 g/mol
LogP5.17
Rot. Bonds3

About 6-(2-cyclohexylethyl)bicyclo[3.2.1]octane

6-(2-cyclohexylethyl)bicyclo[3.2.1]octane (PubChem CID 171097692) has the molecular formula C16H28 and a molecular weight of 220.40 g/mol. Its IUPAC name is 6-(2-cyclohexylethyl)bicyclo[3.2.1]octane.

Molecular Properties

Compound Name6-(2-cyclohexylethyl)bicyclo[3.2.1]octane
PubChem CID171097692
Molecular FormulaC16H28
Molecular Weight220.40 g/mol
Exact Mass220.22
IUPAC Name6-(2-cyclohexylethyl)bicyclo[3.2.1]octane
SMILESC1CCC(CCC2CC3CCCC2C3)CC1
InChIInChI=1S/C16H28/c1-2-5-13(6-3-1)9-10-16-12-14-7-4-8-15(16)11-14/h13-16H,1-12H2
InChIKeyGYKLASCHHXERRI-UHFFFAOYSA-N
XLogP5.17
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500220.40
LogP ≤ 55.17
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

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Related Compounds

(1S,2S,4R)-2-[2-[(1R,2S,4S)-2-bicyclo[2.2.1]heptanyl]ethyl]bicyclo[2.2.1]heptane
CID 54589598
[(1S,5R,6R)-6-bicyclo[3.2.1]octanyl]methanol
CID 131199969
2-cyclohexyl-3-(2-cyclohexylethyl)-1,2,3,4,4a,5,6,7,8,8a-decahydronaphthalene
CID 58552713
2-(2-cyclohexylethyl)cyclopropan-1-amine
CID 131112009
2-(2-methylcyclopropyl)ethylcyclohexane
CID 91503845
2-[(1S,4R)-2-bicyclo[2.2.1]heptanyl]ethanol
CID 14043124
3-(2-cycloheptylethyl)-2,3,4,4a,5,6,7,8,9,10,11,11a-dodecahydro-1H-benzo[9]annulene
CID 90780974
3-ethyl-2-methylbicyclo[3.3.1]nonane
CID 148913731
N-[2-(2-bicyclo[2.2.1]heptanyl)ethyl]cycloheptanamine
CID 63506248
1-cyclohexyl-6-propylcyclodecane
CID 58552139
2-(2-methylcyclopentyl)ethylcyclohexane
CID 134865391
(1R,5R)-2-ethylbicyclo[3.3.1]nonane
CID 143508540

Frequently Asked Questions

What is the IUPAC name of 6-(2-cyclohexylethyl)bicyclo[3.2.1]octane?
The IUPAC name of 6-(2-cyclohexylethyl)bicyclo[3.2.1]octane (CID 171097692) is 6-(2-cyclohexylethyl)bicyclo[3.2.1]octane.
What is the SMILES notation for 6-(2-cyclohexylethyl)bicyclo[3.2.1]octane?
The canonical SMILES for 6-(2-cyclohexylethyl)bicyclo[3.2.1]octane is C1CCC(CCC2CC3CCCC2C3)CC1.
What is the InChIKey of 6-(2-cyclohexylethyl)bicyclo[3.2.1]octane?
The InChIKey is GYKLASCHHXERRI-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H28/c1-2-5-13(6-3-1)9-10-16-12-14-7-4-8-15(16)11-14/h13-16H,1-12H2.
What are the key properties of 6-(2-cyclohexylethyl)bicyclo[3.2.1]octane?
6-(2-cyclohexylethyl)bicyclo[3.2.1]octane has a molecular weight of 220.40 g/mol, XLogP of 5.17, 3 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(2-cyclohexylethyl)bicyclo[3.2.1]octane is sourced from PubChem (CID 171097692), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).