4,7,10-trioxo-10-propoxydecanoic acid

C13H20O6 — CID 171812986

IUPAC4,7,10-trioxo-10-propoxydecanoic acid
SMILESCCCOC(=O)CCC(=O)CCC(=O)CCC(=O)O
InChIInChI=1S/C13H20O6/c1-2-9-19-13(18)8-6-11(15)4-3-10(14)5-7-12(16)17/h2-9H2,1H3,(H,16,17)
InChIKeyIHIXQFPBYNAUAC-UHFFFAOYSA-N
MW272.30 g/mol
LogP1.50
Rot. Bonds11

About 4,7,10-trioxo-10-propoxydecanoic acid

4,7,10-trioxo-10-propoxydecanoic acid (PubChem CID 171812986) has the molecular formula C13H20O6 and a molecular weight of 272.30 g/mol. Its IUPAC name is 4,7,10-trioxo-10-propoxydecanoic acid.

Molecular Properties

Compound Name4,7,10-trioxo-10-propoxydecanoic acid
PubChem CID171812986
Molecular FormulaC13H20O6
Molecular Weight272.30 g/mol
Exact Mass272.13
IUPAC Name4,7,10-trioxo-10-propoxydecanoic acid
SMILESCCCOC(=O)CCC(=O)CCC(=O)CCC(=O)O
InChIInChI=1S/C13H20O6/c1-2-9-19-13(18)8-6-11(15)4-3-10(14)5-7-12(16)17/h2-9H2,1H3,(H,16,17)
InChIKeyIHIXQFPBYNAUAC-UHFFFAOYSA-N
XLogP1.50
TPSA97.74 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds11
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500272.30
LogP ≤ 51.50
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

dipropyl 4,7-dioxodecanedioate
CID 174356334
4-oxo-4-[4-(4-propoxybutoxy)butoxy]butanoic acid
CID 87460185
propyl decanoate;undecanoic acid
CID 174913936
azane;4-decoxy-4-oxobutanoic acid
CID 174695471
CID 172796550
CID 172796550
4-(2-bromoethoxy)-4-oxobutanoic acid
CID 3289614
4-O-(2-hydroxyethyl) 1-O-propyl butanedioate
CID 87981334
methane;propyl butanoate
CID 157187060
calcium;4-hexadecoxy-4-oxobutanoic acid;hydride
CID 173451221
propyl 3-[(3-oxo-3-propoxypropyl)disulfanyl]propanoate
CID 87087500
3-butanoyloxypropanoic acid;ethane
CID 159299960
propyl 3-hydroxypropanoate
CID 12778693

Frequently Asked Questions

What is the IUPAC name of 4,7,10-trioxo-10-propoxydecanoic acid?
The IUPAC name of 4,7,10-trioxo-10-propoxydecanoic acid (CID 171812986) is 4,7,10-trioxo-10-propoxydecanoic acid.
What is the SMILES notation for 4,7,10-trioxo-10-propoxydecanoic acid?
The canonical SMILES for 4,7,10-trioxo-10-propoxydecanoic acid is CCCOC(=O)CCC(=O)CCC(=O)CCC(=O)O.
What is the InChIKey of 4,7,10-trioxo-10-propoxydecanoic acid?
The InChIKey is IHIXQFPBYNAUAC-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H20O6/c1-2-9-19-13(18)8-6-11(15)4-3-10(14)5-7-12(16)17/h2-9H2,1H3,(H,16,17).
What are the key properties of 4,7,10-trioxo-10-propoxydecanoic acid?
4,7,10-trioxo-10-propoxydecanoic acid has a molecular weight of 272.30 g/mol, XLogP of 1.50, 11 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4,7,10-trioxo-10-propoxydecanoic acid is sourced from PubChem (CID 171812986), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).