1-butyl-1,3-diethylcyclopentane

C13H26 — CID 144986630

IUPAC1-butyl-1,3-diethylcyclopentane
SMILESCCCCC1(CC)CCC(CC)C1
InChIInChI=1S/C13H26/c1-4-7-9-13(6-3)10-8-12(5-2)11-13/h12H,4-11H2,1-3H3
InChIKeyIMAWBNRBGIFKGU-UHFFFAOYSA-N
MW182.35 g/mol
LogP4.78
Rot. Bonds5

About 1-butyl-1,3-diethylcyclopentane

1-butyl-1,3-diethylcyclopentane (PubChem CID 144986630) has the molecular formula C13H26 and a molecular weight of 182.35 g/mol. Its IUPAC name is 1-butyl-1,3-diethylcyclopentane.

Molecular Properties

Compound Name1-butyl-1,3-diethylcyclopentane
PubChem CID144986630
Molecular FormulaC13H26
Molecular Weight182.35 g/mol
Exact Mass182.20
IUPAC Name1-butyl-1,3-diethylcyclopentane
SMILESCCCCC1(CC)CCC(CC)C1
InChIInChI=1S/C13H26/c1-4-7-9-13(6-3)10-8-12(5-2)11-13/h12H,4-11H2,1-3H3
InChIKeyIMAWBNRBGIFKGU-UHFFFAOYSA-N
XLogP4.78
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds5
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

1,3-diethyl-1-propylcyclohexadecane
CID 123944709
1,3-diethyl-1-(2-methylbutyl)cyclopentane
CID 123267879
1,1-dibutyl-4-methylcyclohexane
CID 147112544
4,4-dibutylcyclohexan-1-ol
CID 154113333
N-[(1,4-dibutylcyclohexyl)methyl]ethanamine
CID 63523259
4-butyl-1-(chloromethyl)-1-ethylcyclohexane
CID 66035295
1-[2-(4-butyl-4-ethylcyclohexyl)ethyl]-3,5-difluorobenzene
CID 140978413
1-[1-(aminomethyl)-3-ethylcyclopentyl]-2,2-dimethylcyclohexan-1-ol
CID 79852268
1-ethyl-1-hexyl-4-(4-hexylcyclohexyl)cyclohexane
CID 18597123
4-(4-butylcyclohexyl)-1-ethyl-1-hexylcyclohexane
CID 18597121
[1-(2-butoxyethyl)-4-ethylcyclohexyl]methanamine
CID 65394946
4-butyl-4-ethyloxane
CID 89395620

Frequently Asked Questions

What is the IUPAC name of 1-butyl-1,3-diethylcyclopentane?
The IUPAC name of 1-butyl-1,3-diethylcyclopentane (CID 144986630) is 1-butyl-1,3-diethylcyclopentane.
What is the SMILES notation for 1-butyl-1,3-diethylcyclopentane?
The canonical SMILES for 1-butyl-1,3-diethylcyclopentane is CCCCC1(CC)CCC(CC)C1.
What is the InChIKey of 1-butyl-1,3-diethylcyclopentane?
The InChIKey is IMAWBNRBGIFKGU-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H26/c1-4-7-9-13(6-3)10-8-12(5-2)11-13/h12H,4-11H2,1-3H3.
What are the key properties of 1-butyl-1,3-diethylcyclopentane?
1-butyl-1,3-diethylcyclopentane has a molecular weight of 182.35 g/mol, XLogP of 4.78, 5 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 1-butyl-1,3-diethylcyclopentane is sourced from PubChem (CID 144986630), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).