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

C13H24O4 — CID 15721337

IUPAC1-(2,5-dimethoxyoxolan-2-yl)heptan-1-one
SMILESCCCCCCC(=O)C1(OC)CCC(OC)O1
InChIInChI=1S/C13H24O4/c1-4-5-6-7-8-11(14)13(16-3)10-9-12(15-2)17-13/h12H,4-10H2,1-3H3
InChIKeyJRHQHYCDYCHZMG-UHFFFAOYSA-N
MW244.33 g/mol
LogP2.65
Rot. Bonds8

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

1-(2,5-dimethoxyoxolan-2-yl)heptan-1-one (PubChem CID 15721337) has the molecular formula C13H24O4 and a molecular weight of 244.33 g/mol. Its IUPAC name is 1-(2,5-dimethoxyoxolan-2-yl)heptan-1-one.

Molecular Properties

Compound Name1-(2,5-dimethoxyoxolan-2-yl)heptan-1-one
PubChem CID15721337
Molecular FormulaC13H24O4
Molecular Weight244.33 g/mol
Exact Mass244.17
IUPAC Name1-(2,5-dimethoxyoxolan-2-yl)heptan-1-one
SMILESCCCCCCC(=O)C1(OC)CCC(OC)O1
InChIInChI=1S/C13H24O4/c1-4-5-6-7-8-11(14)13(16-3)10-9-12(15-2)17-13/h12H,4-10H2,1-3H3
InChIKeyJRHQHYCDYCHZMG-UHFFFAOYSA-N
XLogP2.65
TPSA44.76 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500244.33
LogP ≤ 52.65
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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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
1-(Methoxymethoxy)decan-2-one
CID 135065656
1,1-Dimethoxyoctan-2-one
CID 248332
1,1-Diethoxyoctan-2-one
CID 10680251
1-(2,5-Dimethoxyoxolan-2-yl)heptadecan-1-one
CID 14204943
1-(2,5-Dimethoxyoxolan-2-yl)pentan-1-one
CID 15721336
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

Frequently Asked Questions

What is the IUPAC name of 1-(2,5-dimethoxyoxolan-2-yl)heptan-1-one?
The IUPAC name of 1-(2,5-dimethoxyoxolan-2-yl)heptan-1-one (CID 15721337) is 1-(2,5-dimethoxyoxolan-2-yl)heptan-1-one.
What is the SMILES notation for 1-(2,5-dimethoxyoxolan-2-yl)heptan-1-one?
The canonical SMILES for 1-(2,5-dimethoxyoxolan-2-yl)heptan-1-one is CCCCCCC(=O)C1(OC)CCC(OC)O1.
What is the InChIKey of 1-(2,5-dimethoxyoxolan-2-yl)heptan-1-one?
The InChIKey is JRHQHYCDYCHZMG-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H24O4/c1-4-5-6-7-8-11(14)13(16-3)10-9-12(15-2)17-13/h12H,4-10H2,1-3H3.
What are the key properties of 1-(2,5-dimethoxyoxolan-2-yl)heptan-1-one?
1-(2,5-dimethoxyoxolan-2-yl)heptan-1-one has a molecular weight of 244.33 g/mol, XLogP of 2.65, 8 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)heptan-1-one is sourced from PubChem (CID 15721337), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).