3-ethylhexylcyclopentane

C13H26 — CID 123372890

IUPAC3-ethylhexylcyclopentane
SMILESCCCC(CC)CCC1CCCC1
InChIInChI=1S/C13H26/c1-3-7-12(4-2)10-11-13-8-5-6-9-13/h12-13H,3-11H2,1-2H3
InChIKeyXVFDZVOYCQXWDI-UHFFFAOYSA-N
MW182.35 g/mol
LogP4.78
Rot. Bonds6

About 3-ethylhexylcyclopentane

3-ethylhexylcyclopentane (PubChem CID 123372890) has the molecular formula C13H26 and a molecular weight of 182.35 g/mol. Its IUPAC name is 3-ethylhexylcyclopentane.

Molecular Properties

Compound Name3-ethylhexylcyclopentane
PubChem CID123372890
Molecular FormulaC13H26
Molecular Weight182.35 g/mol
Exact Mass182.20
IUPAC Name3-ethylhexylcyclopentane
SMILESCCCC(CC)CCC1CCCC1
InChIInChI=1S/C13H26/c1-3-7-12(4-2)10-11-13-8-5-6-9-13/h12-13H,3-11H2,1-2H3
InChIKeyXVFDZVOYCQXWDI-UHFFFAOYSA-N
XLogP4.78
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds6
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500182.35
LogP ≤ 54.78
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

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Related Compounds

butylcyclohexane;4-ethylundecane
CID 174961774
3-ethylpentylcyclopropane
CID 91030831
2-(2-cyclohexylethyl)-N-propan-2-ylpentan-1-amine
CID 114192486
ethane;ethylcyclobutane;3-ethylhexane
CID 143637843
1-cyclohexylhexan-3-amine
CID 43370456
1-(3-butylheptyl)-6-methylcyclodecane
CID 135036007
1-cyclohexyl-5-ethylheptan-3-amine
CID 105028019
2-propylpentylcyclobutane
CID 123848725
1-cyclopentyl-N,5-diethylheptan-3-amine
CID 105028198
1-cyclopentyl-N-ethyl-4-methylheptan-3-amine
CID 107893474
[4-methylsulfanyl-3-(methylsulfanylmethyl)butyl]cyclohexane
CID 23432666
4-ethylheptane;methane
CID 143165373

Frequently Asked Questions

What is the IUPAC name of 3-ethylhexylcyclopentane?
The IUPAC name of 3-ethylhexylcyclopentane (CID 123372890) is 3-ethylhexylcyclopentane.
What is the SMILES notation for 3-ethylhexylcyclopentane?
The canonical SMILES for 3-ethylhexylcyclopentane is CCCC(CC)CCC1CCCC1.
What is the InChIKey of 3-ethylhexylcyclopentane?
The InChIKey is XVFDZVOYCQXWDI-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H26/c1-3-7-12(4-2)10-11-13-8-5-6-9-13/h12-13H,3-11H2,1-2H3.
What are the key properties of 3-ethylhexylcyclopentane?
3-ethylhexylcyclopentane has a molecular weight of 182.35 g/mol, XLogP of 4.78, 6 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 3-ethylhexylcyclopentane is sourced from PubChem (CID 123372890), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).