2-[5-(2,4-diethylcyclopentyl)pentyl]-1,3-dioxolane

C17H32O2 — CID 23560961

IUPAC2-[5-(2,4-diethylcyclopentyl)pentyl]-1,3-dioxolane
SMILESCCC1CC(CC)C(CCCCCC2OCCO2)C1
InChIInChI=1S/C17H32O2/c1-3-14-12-15(4-2)16(13-14)8-6-5-7-9-17-18-10-11-19-17/h14-17H,3-13H2,1-2H3
InChIKeyKTUMSDFJWRBLTI-UHFFFAOYSA-N
MW268.44 g/mol
LogP4.77
Rot. Bonds8

About 2-[5-(2,4-diethylcyclopentyl)pentyl]-1,3-dioxolane

2-[5-(2,4-diethylcyclopentyl)pentyl]-1,3-dioxolane (PubChem CID 23560961) has the molecular formula C17H32O2 and a molecular weight of 268.44 g/mol. Its IUPAC name is 2-[5-(2,4-diethylcyclopentyl)pentyl]-1,3-dioxolane.

Molecular Properties

Compound Name2-[5-(2,4-diethylcyclopentyl)pentyl]-1,3-dioxolane
PubChem CID23560961
Molecular FormulaC17H32O2
Molecular Weight268.44 g/mol
Exact Mass268.24
IUPAC Name2-[5-(2,4-diethylcyclopentyl)pentyl]-1,3-dioxolane
SMILESCCC1CC(CC)C(CCCCCC2OCCO2)C1
InChIInChI=1S/C17H32O2/c1-3-14-12-15(4-2)16(13-14)8-6-5-7-9-17-18-10-11-19-17/h14-17H,3-13H2,1-2H3
InChIKeyKTUMSDFJWRBLTI-UHFFFAOYSA-N
XLogP4.77
TPSA18.46 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds8
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500268.44
LogP ≤ 54.77
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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Related Compounds

2-(1-Butylheptyl)-1,3-dioxolane
CID 11971166
2-[(4,4-Difluoro-2-propylcyclopentyl)methyl]-1,3-dioxolane
CID 167120552
2-[3-(2,4-Diethylcyclopentyl)propyl]-1,3-dioxolane
CID 23560951
2-(6,6-Diethoxy-3-ethylhexyl)-1,1,5-trimethylcyclopentane
CID 25004186
2-(2-Methylicosyl)-1,3-dioxolane
CID 68718662
(2S)-2-[2-(2,2-diethoxyethoxy)ethyl]-1,1,5-trimethylcyclopentane
CID 72710084
(2R)-2-[2-(2,2-diethoxyethoxy)ethyl]-1,1,5-trimethylcyclopentane
CID 72710088
2-Docosan-3-yl-1,3-dioxolane
CID 90033592
2,2,4-Methoxydiethoxy-6,10-dimethylundecane
CID 129812750
2-(5-Ethylnonan-3-YL)-1,3-dioxolane
CID 15765966
4-(2-Heptylundecoxy)-2,2-dimethyl-1,3-dioxolane
CID 20449870
4-[2-Ethyl-4-[2-(3-ethylcyclopentyl)ethyl]cyclopentyl]-2,2-dimethyl-1,3-dioxolane
CID 21339165

Frequently Asked Questions

What is the IUPAC name of 2-[5-(2,4-diethylcyclopentyl)pentyl]-1,3-dioxolane?
The IUPAC name of 2-[5-(2,4-diethylcyclopentyl)pentyl]-1,3-dioxolane (CID 23560961) is 2-[5-(2,4-diethylcyclopentyl)pentyl]-1,3-dioxolane.
What is the SMILES notation for 2-[5-(2,4-diethylcyclopentyl)pentyl]-1,3-dioxolane?
The canonical SMILES for 2-[5-(2,4-diethylcyclopentyl)pentyl]-1,3-dioxolane is CCC1CC(CC)C(CCCCCC2OCCO2)C1.
What is the InChIKey of 2-[5-(2,4-diethylcyclopentyl)pentyl]-1,3-dioxolane?
The InChIKey is KTUMSDFJWRBLTI-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H32O2/c1-3-14-12-15(4-2)16(13-14)8-6-5-7-9-17-18-10-11-19-17/h14-17H,3-13H2,1-2H3.
What are the key properties of 2-[5-(2,4-diethylcyclopentyl)pentyl]-1,3-dioxolane?
2-[5-(2,4-diethylcyclopentyl)pentyl]-1,3-dioxolane has a molecular weight of 268.44 g/mol, XLogP of 4.77, 8 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[5-(2,4-diethylcyclopentyl)pentyl]-1,3-dioxolane is sourced from PubChem (CID 23560961), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).