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

C16H30O2 — CID 23560936

IUPAC2-[2-(2,4-diethylcyclopentyl)ethyl]-2-methyl-1,3-dioxane
SMILESCCC1CC(CC)C(CCC2(C)OCCCO2)C1
InChIInChI=1S/C16H30O2/c1-4-13-11-14(5-2)15(12-13)7-8-16(3)17-9-6-10-18-16/h13-15H,4-12H2,1-3H3
InChIKeyUDMVAGUMWBYVLS-UHFFFAOYSA-N
MW254.41 g/mol
LogP4.38
Rot. Bonds5

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

2-[2-(2,4-diethylcyclopentyl)ethyl]-2-methyl-1,3-dioxane (PubChem CID 23560936) has the molecular formula C16H30O2 and a molecular weight of 254.41 g/mol. Its IUPAC name is 2-[2-(2,4-diethylcyclopentyl)ethyl]-2-methyl-1,3-dioxane.

Molecular Properties

Compound Name2-[2-(2,4-diethylcyclopentyl)ethyl]-2-methyl-1,3-dioxane
PubChem CID23560936
Molecular FormulaC16H30O2
Molecular Weight254.41 g/mol
Exact Mass254.22
IUPAC Name2-[2-(2,4-diethylcyclopentyl)ethyl]-2-methyl-1,3-dioxane
SMILESCCC1CC(CC)C(CCC2(C)OCCCO2)C1
InChIInChI=1S/C16H30O2/c1-4-13-11-14(5-2)15(12-13)7-8-16(3)17-9-6-10-18-16/h13-15H,4-12H2,1-3H3
InChIKeyUDMVAGUMWBYVLS-UHFFFAOYSA-N
XLogP4.38
TPSA18.46 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500254.41
LogP ≤ 54.38
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

2-[2-(2,4-diethylcyclopentyl)ethyl]-1,3-dioxane
CID 23560934
2-[2-(2-bicyclo[2.2.1]hept-5-enyl)ethyl]-2-methyl-1,3-dioxane
CID 22281035
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-(2,4-diethylcyclopentyl)acetonitrile
CID 167210010
2-methyl-2-(3-methylpentyl)-1,3-dioxolane
CID 13315713
8-ethyl-1-oxaspiro[4.5]decane
CID 137449478
1-ethyl-2-[2-(2-methylcyclopropyl)ethyl]cyclopropane
CID 123992340
2-methyl-2-propyl-1,3,6-trioxocane
CID 89306416
1,5-diethyl-2,3-dimethylcyclohexane
CID 557905

Frequently Asked Questions

What is the IUPAC name of 2-[2-(2,4-diethylcyclopentyl)ethyl]-2-methyl-1,3-dioxane?
The IUPAC name of 2-[2-(2,4-diethylcyclopentyl)ethyl]-2-methyl-1,3-dioxane (CID 23560936) is 2-[2-(2,4-diethylcyclopentyl)ethyl]-2-methyl-1,3-dioxane.
What is the SMILES notation for 2-[2-(2,4-diethylcyclopentyl)ethyl]-2-methyl-1,3-dioxane?
The canonical SMILES for 2-[2-(2,4-diethylcyclopentyl)ethyl]-2-methyl-1,3-dioxane is CCC1CC(CC)C(CCC2(C)OCCCO2)C1.
What is the InChIKey of 2-[2-(2,4-diethylcyclopentyl)ethyl]-2-methyl-1,3-dioxane?
The InChIKey is UDMVAGUMWBYVLS-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H30O2/c1-4-13-11-14(5-2)15(12-13)7-8-16(3)17-9-6-10-18-16/h13-15H,4-12H2,1-3H3.
What are the key properties of 2-[2-(2,4-diethylcyclopentyl)ethyl]-2-methyl-1,3-dioxane?
2-[2-(2,4-diethylcyclopentyl)ethyl]-2-methyl-1,3-dioxane has a molecular weight of 254.41 g/mol, XLogP of 4.38, 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]-2-methyl-1,3-dioxane is sourced from PubChem (CID 23560936), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).