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

C14H26O2 — CID 23560935

IUPAC2-[2-(2,4-diethylcyclopentyl)ethyl]-1,3-dioxolane
SMILESCCC1CC(CC)C(CCC2OCCO2)C1
InChIInChI=1S/C14H26O2/c1-3-11-9-12(4-2)13(10-11)5-6-14-15-7-8-16-14/h11-14H,3-10H2,1-2H3
InChIKeyGZDOGXXTHNBVTI-UHFFFAOYSA-N
MW226.36 g/mol
LogP3.60
Rot. Bonds5

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

2-[2-(2,4-diethylcyclopentyl)ethyl]-1,3-dioxolane (PubChem CID 23560935) has the molecular formula C14H26O2 and a molecular weight of 226.36 g/mol. Its IUPAC name is 2-[2-(2,4-diethylcyclopentyl)ethyl]-1,3-dioxolane.

Molecular Properties

Compound Name2-[2-(2,4-diethylcyclopentyl)ethyl]-1,3-dioxolane
PubChem CID23560935
Molecular FormulaC14H26O2
Molecular Weight226.36 g/mol
Exact Mass226.19
IUPAC Name2-[2-(2,4-diethylcyclopentyl)ethyl]-1,3-dioxolane
SMILESCCC1CC(CC)C(CCC2OCCO2)C1
InChIInChI=1S/C14H26O2/c1-3-11-9-12(4-2)13(10-11)5-6-14-15-7-8-16-14/h11-14H,3-10H2,1-2H3
InChIKeyGZDOGXXTHNBVTI-UHFFFAOYSA-N
XLogP3.60
TPSA18.46 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500226.36
LogP ≤ 53.60
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 2-[2-(2,4-diethylcyclopentyl)ethyl]-1,3-dioxolane?
The IUPAC name of 2-[2-(2,4-diethylcyclopentyl)ethyl]-1,3-dioxolane (CID 23560935) is 2-[2-(2,4-diethylcyclopentyl)ethyl]-1,3-dioxolane.
What is the SMILES notation for 2-[2-(2,4-diethylcyclopentyl)ethyl]-1,3-dioxolane?
The canonical SMILES for 2-[2-(2,4-diethylcyclopentyl)ethyl]-1,3-dioxolane is CCC1CC(CC)C(CCC2OCCO2)C1.
What is the InChIKey of 2-[2-(2,4-diethylcyclopentyl)ethyl]-1,3-dioxolane?
The InChIKey is GZDOGXXTHNBVTI-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H26O2/c1-3-11-9-12(4-2)13(10-11)5-6-14-15-7-8-16-14/h11-14H,3-10H2,1-2H3.
What are the key properties of 2-[2-(2,4-diethylcyclopentyl)ethyl]-1,3-dioxolane?
2-[2-(2,4-diethylcyclopentyl)ethyl]-1,3-dioxolane has a molecular weight of 226.36 g/mol, XLogP of 3.60, 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-dioxolane is sourced from PubChem (CID 23560935), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).