bis(5-oxopentanoyl) decanedioate

C20H30O8 — CID 175084020

IUPACbis(5-oxopentanoyl) decanedioate
SMILESO=CCCCC(=O)OC(=O)CCCCCCCCC(=O)OC(=O)CCCC=O
InChIInChI=1S/C20H30O8/c21-15-9-7-13-19(25)27-17(23)11-5-3-1-2-4-6-12-18(24)28-20(26)14-8-10-16-22/h15-16H,1-14H2
InChIKeyPESAZDOIYBTOAA-UHFFFAOYSA-N
MW398.45 g/mol
LogP2.99
Rot. Bonds17

About bis(5-oxopentanoyl) decanedioate

bis(5-oxopentanoyl) decanedioate (PubChem CID 175084020) has the molecular formula C20H30O8 and a molecular weight of 398.45 g/mol. Its IUPAC name is bis(5-oxopentanoyl) decanedioate.

Molecular Properties

Compound Namebis(5-oxopentanoyl) decanedioate
PubChem CID175084020
Molecular FormulaC20H30O8
Molecular Weight398.45 g/mol
Exact Mass398.19
IUPAC Namebis(5-oxopentanoyl) decanedioate
SMILESO=CCCCC(=O)OC(=O)CCCCCCCCC(=O)OC(=O)CCCC=O
InChIInChI=1S/C20H30O8/c21-15-9-7-13-19(25)27-17(23)11-5-3-1-2-4-6-12-18(24)28-20(26)14-8-10-16-22/h15-16H,1-14H2
InChIKeyPESAZDOIYBTOAA-UHFFFAOYSA-N
XLogP2.99
TPSA120.88 Ų
H-Bond Donors
H-Bond Acceptors8
Rotatable Bonds17
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500398.45
LogP ≤ 52.99
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 108

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aldehyde', 'substructure': 'N/A'}, {'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'beta-keto/anhydride', 'substructure': 'N/A'}

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Related Compounds

bis(6-oxohexanoyl) dodecanedioate
CID 57274603
bis(6-oxohexanoyl) hexanedioate
CID 166709220
nonanoyl 9-oxononanoate
CID 134607254
acetyl 9-oxononanoate
CID 174949350
methyl 13-oxotridecanoate
CID 10331995
amino 12-oxododecanoate
CID 57157171
methyl 10-oxodecanoate
CID 519005
ethyl 20-oxoicosanoate;methanol
CID 177225570
30-[28-(29-carboxynonacosanoyloxy)-28-oxooctacosanoyl]oxy-30-oxotriacontanoic acid
CID 57255459
8-[8-(7-carboxyheptanoyloxy)-8-oxooctanoyl]oxy-8-oxooctanoic acid
CID 87223442
8-(5-carboxypentanoyloxy)-8-oxooctanoic acid
CID 175284815
6-[8-(5-carboxypentanoyloxy)-8-oxooctanoyl]oxy-6-oxohexanoic acid
CID 87893152

Frequently Asked Questions

What is the IUPAC name of bis(5-oxopentanoyl) decanedioate?
The IUPAC name of bis(5-oxopentanoyl) decanedioate (CID 175084020) is bis(5-oxopentanoyl) decanedioate.
What is the SMILES notation for bis(5-oxopentanoyl) decanedioate?
The canonical SMILES for bis(5-oxopentanoyl) decanedioate is O=CCCCC(=O)OC(=O)CCCCCCCCC(=O)OC(=O)CCCC=O.
What is the InChIKey of bis(5-oxopentanoyl) decanedioate?
The InChIKey is PESAZDOIYBTOAA-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H30O8/c21-15-9-7-13-19(25)27-17(23)11-5-3-1-2-4-6-12-18(24)28-20(26)14-8-10-16-22/h15-16H,1-14H2.
What are the key properties of bis(5-oxopentanoyl) decanedioate?
bis(5-oxopentanoyl) decanedioate has a molecular weight of 398.45 g/mol, XLogP of 2.99, 17 rotatable bonds, 0 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for bis(5-oxopentanoyl) decanedioate is sourced from PubChem (CID 175084020), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).