7-(2-cyclohexylethyl)-1-methyltricyclo[4.2.0.02,5]octane

C17H28 — CID 163542026

IUPAC7-(2-cyclohexylethyl)-1-methyltricyclo[4.2.0.02,5]octane
SMILESCC12CC(CCC3CCCCC3)C1C1CCC12
InChIInChI=1S/C17H28/c1-17-11-13(16(17)14-9-10-15(14)17)8-7-12-5-3-2-4-6-12/h12-16H,2-11H2,1H3
InChIKeyFBXPEXYCTLMYSL-UHFFFAOYSA-N
MW232.41 g/mol
LogP5.03
Rot. Bonds3

About 7-(2-cyclohexylethyl)-1-methyltricyclo[4.2.0.02,5]octane

7-(2-cyclohexylethyl)-1-methyltricyclo[4.2.0.02,5]octane (PubChem CID 163542026) has the molecular formula C17H28 and a molecular weight of 232.41 g/mol. Its IUPAC name is 7-(2-cyclohexylethyl)-1-methyltricyclo[4.2.0.02,5]octane.

Molecular Properties

Compound Name7-(2-cyclohexylethyl)-1-methyltricyclo[4.2.0.02,5]octane
PubChem CID163542026
Molecular FormulaC17H28
Molecular Weight232.41 g/mol
Exact Mass232.22
IUPAC Name7-(2-cyclohexylethyl)-1-methyltricyclo[4.2.0.02,5]octane
SMILESCC12CC(CCC3CCCCC3)C1C1CCC12
InChIInChI=1S/C17H28/c1-17-11-13(16(17)14-9-10-15(14)17)8-7-12-5-3-2-4-6-12/h12-16H,2-11H2,1H3
InChIKeyFBXPEXYCTLMYSL-UHFFFAOYSA-N
XLogP5.03
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500232.41
LogP ≤ 55.03
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

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Related Compounds

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2-(2-cyclohexylethyl)cyclopropan-1-amine
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2-(2-methylcyclopentyl)ethylcyclohexane
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2-ethyl-6,6-dimethylbicyclo[3.1.0]hexane
CID 123448381
2-(2-cyclohexylethyl)-1,4-dimethylcyclohexane
CID 154060560
2-cyclohexyl-3-(2-cyclohexylethyl)-1,2,3,4,4a,5,6,7,8,8a-decahydronaphthalene
CID 58552713
1,1-dimethyl-4-propylcyclotridecane
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CID 58552139

Frequently Asked Questions

What is the IUPAC name of 7-(2-cyclohexylethyl)-1-methyltricyclo[4.2.0.02,5]octane?
The IUPAC name of 7-(2-cyclohexylethyl)-1-methyltricyclo[4.2.0.02,5]octane (CID 163542026) is 7-(2-cyclohexylethyl)-1-methyltricyclo[4.2.0.02,5]octane.
What is the SMILES notation for 7-(2-cyclohexylethyl)-1-methyltricyclo[4.2.0.02,5]octane?
The canonical SMILES for 7-(2-cyclohexylethyl)-1-methyltricyclo[4.2.0.02,5]octane is CC12CC(CCC3CCCCC3)C1C1CCC12.
What is the InChIKey of 7-(2-cyclohexylethyl)-1-methyltricyclo[4.2.0.02,5]octane?
The InChIKey is FBXPEXYCTLMYSL-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H28/c1-17-11-13(16(17)14-9-10-15(14)17)8-7-12-5-3-2-4-6-12/h12-16H,2-11H2,1H3.
What are the key properties of 7-(2-cyclohexylethyl)-1-methyltricyclo[4.2.0.02,5]octane?
7-(2-cyclohexylethyl)-1-methyltricyclo[4.2.0.02,5]octane has a molecular weight of 232.41 g/mol, XLogP of 5.03, 3 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 7-(2-cyclohexylethyl)-1-methyltricyclo[4.2.0.02,5]octane is sourced from PubChem (CID 163542026), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).