dipropyl 4,7-dioxodecanedioate

C16H26O6 — CID 174356334

IUPACdipropyl 4,7-dioxodecanedioate
SMILESCCCOC(=O)CCC(=O)CCC(=O)CCC(=O)OCCC
InChIInChI=1S/C16H26O6/c1-3-11-21-15(19)9-7-13(17)5-6-14(18)8-10-16(20)22-12-4-2/h3-12H2,1-2H3
InChIKeyJPKSYXCXSYYMKM-UHFFFAOYSA-N
MW314.38 g/mol
LogP2.37
Rot. Bonds13

About dipropyl 4,7-dioxodecanedioate

dipropyl 4,7-dioxodecanedioate (PubChem CID 174356334) has the molecular formula C16H26O6 and a molecular weight of 314.38 g/mol. Its IUPAC name is dipropyl 4,7-dioxodecanedioate.

Molecular Properties

Compound Namedipropyl 4,7-dioxodecanedioate
PubChem CID174356334
Molecular FormulaC16H26O6
Molecular Weight314.38 g/mol
Exact Mass314.17
IUPAC Namedipropyl 4,7-dioxodecanedioate
SMILESCCCOC(=O)CCC(=O)CCC(=O)CCC(=O)OCCC
InChIInChI=1S/C16H26O6/c1-3-11-21-15(19)9-7-13(17)5-6-14(18)8-10-16(20)22-12-4-2/h3-12H2,1-2H3
InChIKeyJPKSYXCXSYYMKM-UHFFFAOYSA-N
XLogP2.37
TPSA86.74 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds13
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500314.38
LogP ≤ 52.37
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Related Compounds

4,7,10-trioxo-10-propoxydecanoic acid
CID 171812986
4-O-(2-hydroxyethyl) 1-O-propyl butanedioate
CID 87981334
methane;propyl butanoate
CID 157187060
propyl 3-hydroxypropanoate
CID 12778693
bismuthane;propyl pentanoate
CID 174550006
dimethyl pentanedioate;dipropyl butanedioate
CID 174797581
propyl 3-[(3-oxo-3-propoxypropyl)disulfanyl]propanoate
CID 87087500
propyl docosanoate
CID 3015299
1-O-propyl 4-O-prop-2-ynyl butanedioate
CID 88550128
ethyl 3-hydroxypropanoate;propyl 3-hydroxypropanoate
CID 161440324
2-butanoyloxyethyl butanoate;methane
CID 161018761
1-O-octyl 4-O-undecyl butanedioate
CID 91702141

Frequently Asked Questions

What is the IUPAC name of dipropyl 4,7-dioxodecanedioate?
The IUPAC name of dipropyl 4,7-dioxodecanedioate (CID 174356334) is dipropyl 4,7-dioxodecanedioate.
What is the SMILES notation for dipropyl 4,7-dioxodecanedioate?
The canonical SMILES for dipropyl 4,7-dioxodecanedioate is CCCOC(=O)CCC(=O)CCC(=O)CCC(=O)OCCC.
What is the InChIKey of dipropyl 4,7-dioxodecanedioate?
The InChIKey is JPKSYXCXSYYMKM-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H26O6/c1-3-11-21-15(19)9-7-13(17)5-6-14(18)8-10-16(20)22-12-4-2/h3-12H2,1-2H3.
What are the key properties of dipropyl 4,7-dioxodecanedioate?
dipropyl 4,7-dioxodecanedioate has a molecular weight of 314.38 g/mol, XLogP of 2.37, 13 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for dipropyl 4,7-dioxodecanedioate is sourced from PubChem (CID 174356334), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).