2-[2-(2,4-diethylcyclopentyl)ethyl]-1,3-dioxane

C15H28O2 — CID 23560934

IUPAC2-[2-(2,4-diethylcyclopentyl)ethyl]-1,3-dioxane
SMILESCCC1CC(CC)C(CCC2OCCCO2)C1
InChIInChI=1S/C15H28O2/c1-3-12-10-13(4-2)14(11-12)6-7-15-16-8-5-9-17-15/h12-15H,3-11H2,1-2H3
InChIKeyGZENQZLDRTXLIW-UHFFFAOYSA-N
MW240.39 g/mol
LogP3.99
Rot. Bonds5

About 2-[2-(2,4-diethylcyclopentyl)ethyl]-1,3-dioxane

2-[2-(2,4-diethylcyclopentyl)ethyl]-1,3-dioxane (PubChem CID 23560934) has the molecular formula C15H28O2 and a molecular weight of 240.39 g/mol. Its IUPAC name is 2-[2-(2,4-diethylcyclopentyl)ethyl]-1,3-dioxane.

Molecular Properties

Compound Name2-[2-(2,4-diethylcyclopentyl)ethyl]-1,3-dioxane
PubChem CID23560934
Molecular FormulaC15H28O2
Molecular Weight240.39 g/mol
Exact Mass240.21
IUPAC Name2-[2-(2,4-diethylcyclopentyl)ethyl]-1,3-dioxane
SMILESCCC1CC(CC)C(CCC2OCCCO2)C1
InChIInChI=1S/C15H28O2/c1-3-12-10-13(4-2)14(11-12)6-7-15-16-8-5-9-17-15/h12-15H,3-11H2,1-2H3
InChIKeyGZENQZLDRTXLIW-UHFFFAOYSA-N
XLogP3.99
TPSA18.46 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500240.39
LogP ≤ 53.99
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

2-[(2,4-diethylcyclopentyl)methyl]-1,3-dioxane
CID 23560940
1-(2,4-diethylcyclopentyl)-4-(1,3-dioxan-2-yl)butan-2-ol
CID 23560891
actinium;1-(2,4-diethylcyclopentyl)-3-(1,3-dioxan-2-yl)propan-1-ol
CID 23560887
1-(2,4-diethylcyclopentyl)-4-(1,3-dioxan-2-yl)butan-1-ol
CID 23560890
2-[2-(2,4-diethylcyclopentyl)ethyl]-2-methyl-1,3-dioxane
CID 23560936
2-[2-(1,3-dioxolan-2-yl)ethyl]-1,3-dioxane
CID 91071611
2-[2-(2-bromo-5-ethylcyclohexyl)ethyl]oxolane
CID 65166473
2-(1,3-dioxan-2-yl)ethanethiol
CID 6326934
2-(2-bromoethyl)-1,3-dioxane;pentane
CID 174799971
4-ethyl-2-[3-(oxolan-2-yl)propyl]cyclohexan-1-ol
CID 65166209
3-(1,3-dioxan-2-yl)-N-ethylpropan-1-amine
CID 142644869
2-(2,4-diethylcyclopentyl)acetonitrile
CID 167210010

Frequently Asked Questions

What is the IUPAC name of 2-[2-(2,4-diethylcyclopentyl)ethyl]-1,3-dioxane?
The IUPAC name of 2-[2-(2,4-diethylcyclopentyl)ethyl]-1,3-dioxane (CID 23560934) is 2-[2-(2,4-diethylcyclopentyl)ethyl]-1,3-dioxane.
What is the SMILES notation for 2-[2-(2,4-diethylcyclopentyl)ethyl]-1,3-dioxane?
The canonical SMILES for 2-[2-(2,4-diethylcyclopentyl)ethyl]-1,3-dioxane is CCC1CC(CC)C(CCC2OCCCO2)C1.
What is the InChIKey of 2-[2-(2,4-diethylcyclopentyl)ethyl]-1,3-dioxane?
The InChIKey is GZENQZLDRTXLIW-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H28O2/c1-3-12-10-13(4-2)14(11-12)6-7-15-16-8-5-9-17-15/h12-15H,3-11H2,1-2H3.
What are the key properties of 2-[2-(2,4-diethylcyclopentyl)ethyl]-1,3-dioxane?
2-[2-(2,4-diethylcyclopentyl)ethyl]-1,3-dioxane has a molecular weight of 240.39 g/mol, XLogP of 3.99, 5 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-(2,4-diethylcyclopentyl)ethyl]-1,3-dioxane is sourced from PubChem (CID 23560934), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).