octanedioic acid;propanedioic acid

C11H18O8 — CID 159733947

IUPACoctanedioic acid;propanedioic acid
SMILESO=C(O)CC(=O)O.O=C(O)CCCCCCC(=O)O
InChIInChI=1S/C8H14O4.C3H4O4/c9-7(10)5-3-1-2-4-6-8(11)12;4-2(5)1-3(6)7/h1-6H2,(H,9,10)(H,11,12);1H2,(H,4,5)(H,6,7)
InChIKeyNBPCKYREWGXNGD-UHFFFAOYSA-N
MW278.26 g/mol
LogP1.04
Rot. Bonds9

About octanedioic acid;propanedioic acid

octanedioic acid;propanedioic acid (PubChem CID 159733947) has the molecular formula C11H18O8 and a molecular weight of 278.26 g/mol. Its IUPAC name is octanedioic acid;propanedioic acid.

Molecular Properties

Compound Nameoctanedioic acid;propanedioic acid
PubChem CID159733947
Molecular FormulaC11H18O8
Molecular Weight278.26 g/mol
Exact Mass278.10
IUPAC Nameoctanedioic acid;propanedioic acid
SMILESO=C(O)CC(=O)O.O=C(O)CCCCCCC(=O)O
InChIInChI=1S/C8H14O4.C3H4O4/c9-7(10)5-3-1-2-4-6-8(11)12;4-2(5)1-3(6)7/h1-6H2,(H,9,10)(H,11,12);1H2,(H,4,5)(H,6,7)
InChIKeyNBPCKYREWGXNGD-UHFFFAOYSA-N
XLogP1.04
TPSA149.20 Ų
H-Bond Donors4
H-Bond Acceptors4
Rotatable Bonds9
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500278.26
LogP ≤ 51.04
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

icosanedioic acid;propanedioic acid
CID 87463757
heptadecanedioic acid
CID 3083765
tridecanedioic acid;undecanedioic acid
CID 158333715
decanedioic acid;hexanedioic acid;octanedioic acid
CID 159110511
decanedioic acid;hexanedioic acid;nonanedioic acid;octanedioic acid
CID 159068248
tetradecanedioic acid
CID 13185
decanedioic acid;tris(nonanedioic acid)
CID 159759294
triacontanedioic acid
CID 5322010
dodecanedioic acid;bis(tridecanedioic acid)
CID 87373965
decanedioic acid;icosanedioic acid
CID 161217033
octadecanoic acid;propanedioic acid
CID 159340862
heptanedioic acid;dihydrochloride
CID 87431923

Frequently Asked Questions

What is the IUPAC name of octanedioic acid;propanedioic acid?
The IUPAC name of octanedioic acid;propanedioic acid (CID 159733947) is octanedioic acid;propanedioic acid.
What is the SMILES notation for octanedioic acid;propanedioic acid?
The canonical SMILES for octanedioic acid;propanedioic acid is O=C(O)CC(=O)O.O=C(O)CCCCCCC(=O)O.
What is the InChIKey of octanedioic acid;propanedioic acid?
The InChIKey is NBPCKYREWGXNGD-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H14O4.C3H4O4/c9-7(10)5-3-1-2-4-6-8(11)12;4-2(5)1-3(6)7/h1-6H2,(H,9,10)(H,11,12);1H2,(H,4,5)(H,6,7).
What are the key properties of octanedioic acid;propanedioic acid?
octanedioic acid;propanedioic acid has a molecular weight of 278.26 g/mol, XLogP of 1.04, 9 rotatable bonds, 4 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for octanedioic acid;propanedioic acid is sourced from PubChem (CID 159733947), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).