1,3-diethylcyclopentane

C9H18 — CID 530396

IUPAC1,3-diethylcyclopentane
SMILESCCC1CCC(CC)C1
InChIInChI=1S/C9H18/c1-3-8-5-6-9(4-2)7-8/h8-9H,3-7H2,1-2H3
InChIKeyRUUVWUNHERVOAY-UHFFFAOYSA-N
MW126.24 g/mol
LogP3.22
Rot. Bonds2

About 1,3-diethylcyclopentane

1,3-diethylcyclopentane (PubChem CID 530396) has the molecular formula C9H18 and a molecular weight of 126.24 g/mol. Its IUPAC name is 1,3-diethylcyclopentane.

Molecular Properties

Compound Name1,3-diethylcyclopentane
PubChem CID530396
Molecular FormulaC9H18
Molecular Weight126.24 g/mol
Exact Mass126.14
IUPAC Name1,3-diethylcyclopentane
SMILESCCC1CCC(CC)C1
InChIInChI=1S/C9H18/c1-3-8-5-6-9(4-2)7-8/h8-9H,3-7H2,1-2H3
InChIKeyRUUVWUNHERVOAY-UHFFFAOYSA-N
XLogP3.22
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds2
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500126.24
LogP ≤ 53.22
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

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Related Compounds

[(1R,3R)-3-ethylcyclopentyl]methanol
CID 14940085
[(1S)-3-ethylcyclopentyl]methanamine
CID 149108624
[(1S,3R)-3-ethylcyclopentyl]methanamine;[(1S,3S)-3-ethylcyclopentyl]methanamine
CID 161132665
trans-(1R,3R)-1-ethyl-3-methylcyclopentane
CID 6432281
2,7-diethyl-1,2,3,4,4a,5,6,7,8,8a-decahydronaphthalene
CID 58695351
(3,5-diethylcycloheptyl)phosphane
CID 170151688
azane;ethylcyclopropane
CID 20975579
ethane;ethylcyclopropane
CID 91380076
1-(2,3-dimethylbutyl)-3-ethylcyclopentane
CID 123993465
(1S,3S)-3-ethylbicyclo[4.1.0]heptane
CID 143706776
1-ethyl-3-methylcyclopentane;methane
CID 144878558
1,3-diethylcyclobutane;methane;propane
CID 161327157

Frequently Asked Questions

What is the IUPAC name of 1,3-diethylcyclopentane?
The IUPAC name of 1,3-diethylcyclopentane (CID 530396) is 1,3-diethylcyclopentane.
What is the SMILES notation for 1,3-diethylcyclopentane?
The canonical SMILES for 1,3-diethylcyclopentane is CCC1CCC(CC)C1.
What is the InChIKey of 1,3-diethylcyclopentane?
The InChIKey is RUUVWUNHERVOAY-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H18/c1-3-8-5-6-9(4-2)7-8/h8-9H,3-7H2,1-2H3.
What are the key properties of 1,3-diethylcyclopentane?
1,3-diethylcyclopentane has a molecular weight of 126.24 g/mol, XLogP of 3.22, 2 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 1,3-diethylcyclopentane is sourced from PubChem (CID 530396), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).