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

C16H30O2 — CID 23560954

IUPAC2-[4-(2,4-diethylcyclopentyl)butyl]-1,3-dioxolane
SMILESCCC1CC(CC)C(CCCCC2OCCO2)C1
InChIInChI=1S/C16H30O2/c1-3-13-11-14(4-2)15(12-13)7-5-6-8-16-17-9-10-18-16/h13-16H,3-12H2,1-2H3
InChIKeyBXMZUAJLKNRKJE-UHFFFAOYSA-N
MW254.41 g/mol
LogP4.38
Rot. Bonds7

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

2-[4-(2,4-diethylcyclopentyl)butyl]-1,3-dioxolane (PubChem CID 23560954) has the molecular formula C16H30O2 and a molecular weight of 254.41 g/mol. Its IUPAC name is 2-[4-(2,4-diethylcyclopentyl)butyl]-1,3-dioxolane.

Molecular Properties

Compound Name2-[4-(2,4-diethylcyclopentyl)butyl]-1,3-dioxolane
PubChem CID23560954
Molecular FormulaC16H30O2
Molecular Weight254.41 g/mol
Exact Mass254.22
IUPAC Name2-[4-(2,4-diethylcyclopentyl)butyl]-1,3-dioxolane
SMILESCCC1CC(CC)C(CCCCC2OCCO2)C1
InChIInChI=1S/C16H30O2/c1-3-13-11-14(4-2)15(12-13)7-5-6-8-16-17-9-10-18-16/h13-16H,3-12H2,1-2H3
InChIKeyBXMZUAJLKNRKJE-UHFFFAOYSA-N
XLogP4.38
TPSA18.46 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds7
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

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 2-[4-(2,4-diethylcyclopentyl)butyl]-1,3-dioxolane?
The IUPAC name of 2-[4-(2,4-diethylcyclopentyl)butyl]-1,3-dioxolane (CID 23560954) is 2-[4-(2,4-diethylcyclopentyl)butyl]-1,3-dioxolane.
What is the SMILES notation for 2-[4-(2,4-diethylcyclopentyl)butyl]-1,3-dioxolane?
The canonical SMILES for 2-[4-(2,4-diethylcyclopentyl)butyl]-1,3-dioxolane is CCC1CC(CC)C(CCCCC2OCCO2)C1.
What is the InChIKey of 2-[4-(2,4-diethylcyclopentyl)butyl]-1,3-dioxolane?
The InChIKey is BXMZUAJLKNRKJE-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H30O2/c1-3-13-11-14(4-2)15(12-13)7-5-6-8-16-17-9-10-18-16/h13-16H,3-12H2,1-2H3.
What are the key properties of 2-[4-(2,4-diethylcyclopentyl)butyl]-1,3-dioxolane?
2-[4-(2,4-diethylcyclopentyl)butyl]-1,3-dioxolane has a molecular weight of 254.41 g/mol, XLogP of 4.38, 7 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-(2,4-diethylcyclopentyl)butyl]-1,3-dioxolane is sourced from PubChem (CID 23560954), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).