2-[6-(2,4-diethylcyclopentyl)hexyl]-1,3-dioxolane

C18H34O2 — CID 23560972

IUPAC2-[6-(2,4-diethylcyclopentyl)hexyl]-1,3-dioxolane
SMILESCCC1CC(CC)C(CCCCCCC2OCCO2)C1
InChIInChI=1S/C18H34O2/c1-3-15-13-16(4-2)17(14-15)9-7-5-6-8-10-18-19-11-12-20-18/h15-18H,3-14H2,1-2H3
InChIKeyDFUDDPYDMXIAOW-UHFFFAOYSA-N
MW282.47 g/mol
LogP5.16
Rot. Bonds9

About 2-[6-(2,4-diethylcyclopentyl)hexyl]-1,3-dioxolane

2-[6-(2,4-diethylcyclopentyl)hexyl]-1,3-dioxolane (PubChem CID 23560972) has the molecular formula C18H34O2 and a molecular weight of 282.47 g/mol. Its IUPAC name is 2-[6-(2,4-diethylcyclopentyl)hexyl]-1,3-dioxolane.

Molecular Properties

Compound Name2-[6-(2,4-diethylcyclopentyl)hexyl]-1,3-dioxolane
PubChem CID23560972
Molecular FormulaC18H34O2
Molecular Weight282.47 g/mol
Exact Mass282.26
IUPAC Name2-[6-(2,4-diethylcyclopentyl)hexyl]-1,3-dioxolane
SMILESCCC1CC(CC)C(CCCCCCC2OCCO2)C1
InChIInChI=1S/C18H34O2/c1-3-15-13-16(4-2)17(14-15)9-7-5-6-8-10-18-19-11-12-20-18/h15-18H,3-14H2,1-2H3
InChIKeyDFUDDPYDMXIAOW-UHFFFAOYSA-N
XLogP5.16
TPSA18.46 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds9
Heavy Atoms20
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500282.47
LogP ≤ 55.16
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-[6-(2,4-diethylcyclopentyl)hexyl]-1,3-dioxolane?
The IUPAC name of 2-[6-(2,4-diethylcyclopentyl)hexyl]-1,3-dioxolane (CID 23560972) is 2-[6-(2,4-diethylcyclopentyl)hexyl]-1,3-dioxolane.
What is the SMILES notation for 2-[6-(2,4-diethylcyclopentyl)hexyl]-1,3-dioxolane?
The canonical SMILES for 2-[6-(2,4-diethylcyclopentyl)hexyl]-1,3-dioxolane is CCC1CC(CC)C(CCCCCCC2OCCO2)C1.
What is the InChIKey of 2-[6-(2,4-diethylcyclopentyl)hexyl]-1,3-dioxolane?
The InChIKey is DFUDDPYDMXIAOW-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H34O2/c1-3-15-13-16(4-2)17(14-15)9-7-5-6-8-10-18-19-11-12-20-18/h15-18H,3-14H2,1-2H3.
What are the key properties of 2-[6-(2,4-diethylcyclopentyl)hexyl]-1,3-dioxolane?
2-[6-(2,4-diethylcyclopentyl)hexyl]-1,3-dioxolane has a molecular weight of 282.47 g/mol, XLogP of 5.16, 9 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[6-(2,4-diethylcyclopentyl)hexyl]-1,3-dioxolane is sourced from PubChem (CID 23560972), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).