4,4-diethyloxolan-3-one

C8H14O2 — CID 167728298

IUPAC4,4-diethyloxolan-3-one
SMILESCCC1(CC)COCC1=O
InChIInChI=1S/C8H14O2/c1-3-8(4-2)6-10-5-7(8)9/h3-6H2,1-2H3
InChIKeyXZJJLKMAQVKFHZ-UHFFFAOYSA-N
MW142.20 g/mol
LogP1.39
Rot. Bonds2

About 4,4-diethyloxolan-3-one

4,4-diethyloxolan-3-one (PubChem CID 167728298) has the molecular formula C8H14O2 and a molecular weight of 142.20 g/mol. Its IUPAC name is 4,4-diethyloxolan-3-one.

Molecular Properties

Compound Name4,4-diethyloxolan-3-one
PubChem CID167728298
Molecular FormulaC8H14O2
Molecular Weight142.20 g/mol
Exact Mass142.10
IUPAC Name4,4-diethyloxolan-3-one
SMILESCCC1(CC)COCC1=O
InChIInChI=1S/C8H14O2/c1-3-8(4-2)6-10-5-7(8)9/h3-6H2,1-2H3
InChIKeyXZJJLKMAQVKFHZ-UHFFFAOYSA-N
XLogP1.39
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500142.20
LogP ≤ 51.39
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

(5R)-5-ethyl-5-hydroxy-2H-oxepin-6-one
CID 135139694
2,8-dioxaspiro[4.5]decan-4-one
CID 167727896
2,2-diethylcyclopentane-1,3-dione
CID 10464532
(3S)-3-ethyl-3-methyloxetan-2-one
CID 102402061
3-ethyl-3-(4-fluorobutyl)oxetan-2-one
CID 154715931
(2R)-2-ethyl-2-(2-oxopropyl)cyclohexan-1-one
CID 10442347
2-ethyl-2-methylcyclopentane-1,3-dione
CID 574386
(2S)-2-(2-chloroprop-2-enyl)-2-ethylcyclopentan-1-one
CID 134953462
5-(2-methylpropyl)-5-propan-2-ylmorpholin-3-one
CID 58238921
1,1,7,7-tetraethyl-3,3,5,5-tetramethyl-2,6-dihydro-s-indacene-4,8-dione
CID 139037270
6,6-dimethyl-1,4-dioxepan-2-one
CID 10219498
5,5-diethyl-1,3-dioxocane-4,8-dione
CID 54503867

Frequently Asked Questions

What is the IUPAC name of 4,4-diethyloxolan-3-one?
The IUPAC name of 4,4-diethyloxolan-3-one (CID 167728298) is 4,4-diethyloxolan-3-one.
What is the SMILES notation for 4,4-diethyloxolan-3-one?
The canonical SMILES for 4,4-diethyloxolan-3-one is CCC1(CC)COCC1=O.
What is the InChIKey of 4,4-diethyloxolan-3-one?
The InChIKey is XZJJLKMAQVKFHZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H14O2/c1-3-8(4-2)6-10-5-7(8)9/h3-6H2,1-2H3.
What are the key properties of 4,4-diethyloxolan-3-one?
4,4-diethyloxolan-3-one has a molecular weight of 142.20 g/mol, XLogP of 1.39, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4,4-diethyloxolan-3-one is sourced from PubChem (CID 167728298), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).