5-(2-cyclohexylethyl)bicyclo[2.1.0]pentane

C13H22 — CID 91187564

IUPAC5-(2-cyclohexylethyl)bicyclo[2.1.0]pentane
SMILESC1CCC(CCC2C3CCC23)CC1
InChIInChI=1S/C13H22/c1-2-4-10(5-3-1)6-7-11-12-8-9-13(11)12/h10-13H,1-9H2
InChIKeyLWGONAUWWIEKHV-UHFFFAOYSA-N
MW178.32 g/mol
LogP4.00
Rot. Bonds3

About 5-(2-cyclohexylethyl)bicyclo[2.1.0]pentane

5-(2-cyclohexylethyl)bicyclo[2.1.0]pentane (PubChem CID 91187564) has the molecular formula C13H22 and a molecular weight of 178.32 g/mol. Its IUPAC name is 5-(2-cyclohexylethyl)bicyclo[2.1.0]pentane.

Molecular Properties

Compound Name5-(2-cyclohexylethyl)bicyclo[2.1.0]pentane
PubChem CID91187564
Molecular FormulaC13H22
Molecular Weight178.32 g/mol
Exact Mass178.17
IUPAC Name5-(2-cyclohexylethyl)bicyclo[2.1.0]pentane
SMILESC1CCC(CCC2C3CCC23)CC1
InChIInChI=1S/C13H22/c1-2-4-10(5-3-1)6-7-11-12-8-9-13(11)12/h10-13H,1-9H2
InChIKeyLWGONAUWWIEKHV-UHFFFAOYSA-N
XLogP4.00
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds3
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500178.32
LogP ≤ 54.00
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

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Related Compounds

2-cyclohexyl-1-(2-cyclohexylethyl)-1,2,3,3a,4,5,6,6a-octahydropentalene
CID 58552522
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CID 57270632
4-cyclopentylbutylcyclohexane
CID 144547696
3-cyclobutylpropylcyclohexane
CID 54165208
1-(2-cyclohexylethyl)-4-[2-(4-propylcyclohexyl)ethyl]cyclohexane
CID 70430254
2-(2-methylcyclopropyl)ethylcyclohexane
CID 91503845
2-(2-cyclohexylethyl)cyclopropan-1-amine
CID 131112009
propylcyclotetradecane
CID 90991550
2-fluoroethylcyclodecane
CID 70177675
2-cycloheptylethylsilane
CID 161372645
2-cycloheptatriacontylethanamine
CID 70967764
2-cyclohexyl-1-[2-(4-methylcyclohexyl)ethyl]-2,3,3a,4,5,6,7,7a-octahydro-1H-indene
CID 58552321

Frequently Asked Questions

What is the IUPAC name of 5-(2-cyclohexylethyl)bicyclo[2.1.0]pentane?
The IUPAC name of 5-(2-cyclohexylethyl)bicyclo[2.1.0]pentane (CID 91187564) is 5-(2-cyclohexylethyl)bicyclo[2.1.0]pentane.
What is the SMILES notation for 5-(2-cyclohexylethyl)bicyclo[2.1.0]pentane?
The canonical SMILES for 5-(2-cyclohexylethyl)bicyclo[2.1.0]pentane is C1CCC(CCC2C3CCC23)CC1.
What is the InChIKey of 5-(2-cyclohexylethyl)bicyclo[2.1.0]pentane?
The InChIKey is LWGONAUWWIEKHV-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H22/c1-2-4-10(5-3-1)6-7-11-12-8-9-13(11)12/h10-13H,1-9H2.
What are the key properties of 5-(2-cyclohexylethyl)bicyclo[2.1.0]pentane?
5-(2-cyclohexylethyl)bicyclo[2.1.0]pentane has a molecular weight of 178.32 g/mol, XLogP of 4.00, 3 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(2-cyclohexylethyl)bicyclo[2.1.0]pentane is sourced from PubChem (CID 91187564), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).