1-(2-ethoxyoxolan-3-yl)pentane-1,4-dione

C11H18O4 — CID 13401245

IUPAC1-(2-ethoxyoxolan-3-yl)pentane-1,4-dione
SMILESCCOC1OCCC1C(=O)CCC(C)=O
InChIInChI=1S/C11H18O4/c1-3-14-11-9(6-7-15-11)10(13)5-4-8(2)12/h9,11H,3-7H2,1-2H3
InChIKeyYJWYWMRNPGOKCV-UHFFFAOYSA-N
MW214.26 g/mol
LogP1.32
Rot. Bonds6

About 1-(2-ethoxyoxolan-3-yl)pentane-1,4-dione

1-(2-ethoxyoxolan-3-yl)pentane-1,4-dione (PubChem CID 13401245) has the molecular formula C11H18O4 and a molecular weight of 214.26 g/mol. Its IUPAC name is 1-(2-ethoxyoxolan-3-yl)pentane-1,4-dione.

Molecular Properties

Compound Name1-(2-ethoxyoxolan-3-yl)pentane-1,4-dione
PubChem CID13401245
Molecular FormulaC11H18O4
Molecular Weight214.26 g/mol
Exact Mass214.12
IUPAC Name1-(2-ethoxyoxolan-3-yl)pentane-1,4-dione
SMILESCCOC1OCCC1C(=O)CCC(C)=O
InChIInChI=1S/C11H18O4/c1-3-14-11-9(6-7-15-11)10(13)5-4-8(2)12/h9,11H,3-7H2,1-2H3
InChIKeyYJWYWMRNPGOKCV-UHFFFAOYSA-N
XLogP1.32
TPSA52.60 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500214.26
LogP ≤ 51.32
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

(4-Acetyl-3,4-dimethyl-5-oxooxolan-2-yl) octanoate
CID 455290
(5R,6S)-6-tert-butyl-3-methoxy-2-oxaspiro[4.4]nonan-9-one
CID 13990670
3-(1,3-Dioxolan-2-ylmethyl)octane-2,7-dione
CID 14732298
3-Formyl-2-methoxy-1,6-dioxaspiro[4.4]nonane
CID 15653727
Ethyl 5-(diethoxymethyl)-4-oxoheptanoate
CID 134938029
dimethyl (2R)-2-[(4R)-6,6-dimethoxy-4-propan-2-ylhexanoyl]butanedioate
CID 15670773
dimethyl 2-[(4R)-6,6-dimethoxy-4-propan-2-ylhexanoyl]butanedioate
CID 15670774
1-(2,5-Dimethoxyoxolan-3-yl)butan-1-one
CID 21667194
3-Propionyl-2,5-dimethoxytetrahydrofuran
CID 22097064
1-Ethoxyethyl 2,5-diethyloxolane-3-carboxylate
CID 23522006
Ethyl 7-(1,3-dioxolan-2-yl)-3-oxooctanoate
CID 67447894
2-[5-(5-Ethoxyoxolan-2-yl)oxypentyl]butanedial
CID 124001357

Frequently Asked Questions

What is the IUPAC name of 1-(2-ethoxyoxolan-3-yl)pentane-1,4-dione?
The IUPAC name of 1-(2-ethoxyoxolan-3-yl)pentane-1,4-dione (CID 13401245) is 1-(2-ethoxyoxolan-3-yl)pentane-1,4-dione.
What is the SMILES notation for 1-(2-ethoxyoxolan-3-yl)pentane-1,4-dione?
The canonical SMILES for 1-(2-ethoxyoxolan-3-yl)pentane-1,4-dione is CCOC1OCCC1C(=O)CCC(C)=O.
What is the InChIKey of 1-(2-ethoxyoxolan-3-yl)pentane-1,4-dione?
The InChIKey is YJWYWMRNPGOKCV-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H18O4/c1-3-14-11-9(6-7-15-11)10(13)5-4-8(2)12/h9,11H,3-7H2,1-2H3.
What are the key properties of 1-(2-ethoxyoxolan-3-yl)pentane-1,4-dione?
1-(2-ethoxyoxolan-3-yl)pentane-1,4-dione has a molecular weight of 214.26 g/mol, XLogP of 1.32, 6 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-ethoxyoxolan-3-yl)pentane-1,4-dione is sourced from PubChem (CID 13401245), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).