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

C13H24O2 — CID 23560941

IUPAC2-[(2,4-diethylcyclopentyl)methyl]-1,3-dioxolane
SMILESCCC1CC(CC)C(CC2OCCO2)C1
InChIInChI=1S/C13H24O2/c1-3-10-7-11(4-2)12(8-10)9-13-14-5-6-15-13/h10-13H,3-9H2,1-2H3
InChIKeyONCZNEZZQXIDFW-UHFFFAOYSA-N
MW212.33 g/mol
LogP3.21
Rot. Bonds4

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

2-[(2,4-diethylcyclopentyl)methyl]-1,3-dioxolane (PubChem CID 23560941) has the molecular formula C13H24O2 and a molecular weight of 212.33 g/mol. Its IUPAC name is 2-[(2,4-diethylcyclopentyl)methyl]-1,3-dioxolane.

Molecular Properties

Compound Name2-[(2,4-diethylcyclopentyl)methyl]-1,3-dioxolane
PubChem CID23560941
Molecular FormulaC13H24O2
Molecular Weight212.33 g/mol
Exact Mass212.18
IUPAC Name2-[(2,4-diethylcyclopentyl)methyl]-1,3-dioxolane
SMILESCCC1CC(CC)C(CC2OCCO2)C1
InChIInChI=1S/C13H24O2/c1-3-10-7-11(4-2)12(8-10)9-13-14-5-6-15-13/h10-13H,3-9H2,1-2H3
InChIKeyONCZNEZZQXIDFW-UHFFFAOYSA-N
XLogP3.21
TPSA18.46 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500212.33
LogP ≤ 53.21
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

2-(3,3-Diethoxy-2-methylpropyl)bicyclo[2.2.1]heptane
CID 103605
2-(1-Methyldecyl)-1,3-dioxolane
CID 11971393
2-(1-Butylheptyl)-1,3-dioxolane
CID 11971166
2-[(4,4-Difluoro-2-propylcyclopentyl)methyl]-1,3-dioxolane
CID 167120552
6,9-Diethyl-1,4-dioxaspiro[4.4]nonane
CID 23533483
2-[3-(2,4-Diethylcyclopentyl)propyl]-1,3-dioxolane
CID 23560951
(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
8-Butan-2-yl-1,4-dioxaspiro[4.4]nonane
CID 144633620
1-Cyclopentyl-2-(3,3-dimethoxypropyl)cyclopentane
CID 149983547
2-[(1S,4R,5R,6S)-4,7,7-trimethyl-6-bicyclo[3.2.0]heptanyl]-1,3-dioxolane
CID 24881905
(3'aR,8'aS)-2'-propylspiro[1,3-dioxolane-2,6'-2,3,3a,4,5,7,8,8a-octahydro-1H-azulene]
CID 135017049

Frequently Asked Questions

What is the IUPAC name of 2-[(2,4-diethylcyclopentyl)methyl]-1,3-dioxolane?
The IUPAC name of 2-[(2,4-diethylcyclopentyl)methyl]-1,3-dioxolane (CID 23560941) is 2-[(2,4-diethylcyclopentyl)methyl]-1,3-dioxolane.
What is the SMILES notation for 2-[(2,4-diethylcyclopentyl)methyl]-1,3-dioxolane?
The canonical SMILES for 2-[(2,4-diethylcyclopentyl)methyl]-1,3-dioxolane is CCC1CC(CC)C(CC2OCCO2)C1.
What is the InChIKey of 2-[(2,4-diethylcyclopentyl)methyl]-1,3-dioxolane?
The InChIKey is ONCZNEZZQXIDFW-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H24O2/c1-3-10-7-11(4-2)12(8-10)9-13-14-5-6-15-13/h10-13H,3-9H2,1-2H3.
What are the key properties of 2-[(2,4-diethylcyclopentyl)methyl]-1,3-dioxolane?
2-[(2,4-diethylcyclopentyl)methyl]-1,3-dioxolane has a molecular weight of 212.33 g/mol, XLogP of 3.21, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(2,4-diethylcyclopentyl)methyl]-1,3-dioxolane is sourced from PubChem (CID 23560941), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).