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

C21H38O2 — CID 23560977

IUPAC2-cyclopentyl-2-[4-(2,4-diethylcyclopentyl)butyl]-1,3-dioxolane
SMILESCCC1CC(CC)C(CCCCC2(C3CCCC3)OCCO2)C1
InChIInChI=1S/C21H38O2/c1-3-17-15-18(4-2)19(16-17)9-7-8-12-21(22-13-14-23-21)20-10-5-6-11-20/h17-20H,3-16H2,1-2H3
InChIKeyNRODONMLKFFZGS-UHFFFAOYSA-N
MW322.53 g/mol
LogP5.94
Rot. Bonds8

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

2-cyclopentyl-2-[4-(2,4-diethylcyclopentyl)butyl]-1,3-dioxolane (PubChem CID 23560977) has the molecular formula C21H38O2 and a molecular weight of 322.53 g/mol. Its IUPAC name is 2-cyclopentyl-2-[4-(2,4-diethylcyclopentyl)butyl]-1,3-dioxolane.

Molecular Properties

Compound Name2-cyclopentyl-2-[4-(2,4-diethylcyclopentyl)butyl]-1,3-dioxolane
PubChem CID23560977
Molecular FormulaC21H38O2
Molecular Weight322.53 g/mol
Exact Mass322.29
IUPAC Name2-cyclopentyl-2-[4-(2,4-diethylcyclopentyl)butyl]-1,3-dioxolane
SMILESCCC1CC(CC)C(CCCCC2(C3CCCC3)OCCO2)C1
InChIInChI=1S/C21H38O2/c1-3-17-15-18(4-2)19(16-17)9-7-8-12-21(22-13-14-23-21)20-10-5-6-11-20/h17-20H,3-16H2,1-2H3
InChIKeyNRODONMLKFFZGS-UHFFFAOYSA-N
XLogP5.94
TPSA18.46 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds8
Heavy Atoms23
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500322.53
LogP ≤ 55.94
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-cyclopentyl-2-[4-(2,4-diethylcyclopentyl)butyl]-1,3-dioxolane?
The IUPAC name of 2-cyclopentyl-2-[4-(2,4-diethylcyclopentyl)butyl]-1,3-dioxolane (CID 23560977) is 2-cyclopentyl-2-[4-(2,4-diethylcyclopentyl)butyl]-1,3-dioxolane.
What is the SMILES notation for 2-cyclopentyl-2-[4-(2,4-diethylcyclopentyl)butyl]-1,3-dioxolane?
The canonical SMILES for 2-cyclopentyl-2-[4-(2,4-diethylcyclopentyl)butyl]-1,3-dioxolane is CCC1CC(CC)C(CCCCC2(C3CCCC3)OCCO2)C1.
What is the InChIKey of 2-cyclopentyl-2-[4-(2,4-diethylcyclopentyl)butyl]-1,3-dioxolane?
The InChIKey is NRODONMLKFFZGS-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H38O2/c1-3-17-15-18(4-2)19(16-17)9-7-8-12-21(22-13-14-23-21)20-10-5-6-11-20/h17-20H,3-16H2,1-2H3.
What are the key properties of 2-cyclopentyl-2-[4-(2,4-diethylcyclopentyl)butyl]-1,3-dioxolane?
2-cyclopentyl-2-[4-(2,4-diethylcyclopentyl)butyl]-1,3-dioxolane has a molecular weight of 322.53 g/mol, XLogP of 5.94, 8 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-cyclopentyl-2-[4-(2,4-diethylcyclopentyl)butyl]-1,3-dioxolane is sourced from PubChem (CID 23560977), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).