1-(2,5-dimethoxyoxolan-2-yl)pentan-1-one

C11H20O4 — CID 15721336

IUPAC1-(2,5-dimethoxyoxolan-2-yl)pentan-1-one
SMILESCCCCC(=O)C1(OC)CCC(OC)O1
InChIInChI=1S/C11H20O4/c1-4-5-6-9(12)11(14-3)8-7-10(13-2)15-11/h10H,4-8H2,1-3H3
InChIKeyIVWFVFNHHNIKOF-UHFFFAOYSA-N
MW216.28 g/mol
LogP1.87
Rot. Bonds6

About 1-(2,5-dimethoxyoxolan-2-yl)pentan-1-one

1-(2,5-dimethoxyoxolan-2-yl)pentan-1-one (PubChem CID 15721336) has the molecular formula C11H20O4 and a molecular weight of 216.28 g/mol. Its IUPAC name is 1-(2,5-dimethoxyoxolan-2-yl)pentan-1-one.

Molecular Properties

Compound Name1-(2,5-dimethoxyoxolan-2-yl)pentan-1-one
PubChem CID15721336
Molecular FormulaC11H20O4
Molecular Weight216.28 g/mol
Exact Mass216.14
IUPAC Name1-(2,5-dimethoxyoxolan-2-yl)pentan-1-one
SMILESCCCCC(=O)C1(OC)CCC(OC)O1
InChIInChI=1S/C11H20O4/c1-4-5-6-9(12)11(14-3)8-7-10(13-2)15-11/h10H,4-8H2,1-3H3
InChIKeyIVWFVFNHHNIKOF-UHFFFAOYSA-N
XLogP1.87
TPSA44.76 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500216.28
LogP ≤ 51.87
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

2,5-Dimethoxytetrahydrofuryl-3-butanone
CID 44719217
[(2S,5S)-5-propanoyloxolan-2-yl] acetate
CID 93475957
5-[3-(Methoxymethoxy)propyl]oxolan-3-one
CID 134859900
[(2S,5S)-5-(3-methylbutanoyl)oxolan-2-yl] acetate
CID 162400089
1,1-Diethoxyoctan-2-one
CID 10680251
1-(2,5-Dimethoxyoxolan-2-yl)heptadecan-1-one
CID 14204943
1-(2,5-Dimethoxyoxolan-2-yl)heptan-1-one
CID 15721337
1-(2,5-Dimethoxyoxolan-2-yl)nonan-1-one
CID 15721338
1-(2,5-Dimethoxyoxolan-2-yl)tridecan-1-one
CID 15721340
1-(2,5-Dimethoxyoxolan-2-yl)pentadecan-1-one
CID 15721341
(5-propanoyloxolan-2-yl) Acetate
CID 11084564
1-(1,3-Dioxolan-2-yl)hexan-1-one
CID 66780499

Frequently Asked Questions

What is the IUPAC name of 1-(2,5-dimethoxyoxolan-2-yl)pentan-1-one?
The IUPAC name of 1-(2,5-dimethoxyoxolan-2-yl)pentan-1-one (CID 15721336) is 1-(2,5-dimethoxyoxolan-2-yl)pentan-1-one.
What is the SMILES notation for 1-(2,5-dimethoxyoxolan-2-yl)pentan-1-one?
The canonical SMILES for 1-(2,5-dimethoxyoxolan-2-yl)pentan-1-one is CCCCC(=O)C1(OC)CCC(OC)O1.
What is the InChIKey of 1-(2,5-dimethoxyoxolan-2-yl)pentan-1-one?
The InChIKey is IVWFVFNHHNIKOF-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H20O4/c1-4-5-6-9(12)11(14-3)8-7-10(13-2)15-11/h10H,4-8H2,1-3H3.
What are the key properties of 1-(2,5-dimethoxyoxolan-2-yl)pentan-1-one?
1-(2,5-dimethoxyoxolan-2-yl)pentan-1-one has a molecular weight of 216.28 g/mol, XLogP of 1.87, 6 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2,5-dimethoxyoxolan-2-yl)pentan-1-one is sourced from PubChem (CID 15721336), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).