tridecanedioic acid;undecanedioic acid

C24H44O8 — CID 158333715

IUPACtridecanedioic acid;undecanedioic acid
SMILESO=C(O)CCCCCCCCCC(=O)O.O=C(O)CCCCCCCCCCCC(=O)O
InChIInChI=1S/C13H24O4.C11H20O4/c14-12(15)10-8-6-4-2-1-3-5-7-9-11-13(16)17;12-10(13)8-6-4-2-1-3-5-7-9-11(14)15/h1-11H2,(H,14,15)(H,16,17);1-9H2,(H,12,13)(H,14,15)
InChIKeyGQICBDCDZGMJBH-UHFFFAOYSA-N
MW460.61 g/mol
LogP6.11
Rot. Bonds22

About tridecanedioic acid;undecanedioic acid

tridecanedioic acid;undecanedioic acid (PubChem CID 158333715) has the molecular formula C24H44O8 and a molecular weight of 460.61 g/mol. Its IUPAC name is tridecanedioic acid;undecanedioic acid.

Molecular Properties

Compound Nametridecanedioic acid;undecanedioic acid
PubChem CID158333715
Molecular FormulaC24H44O8
Molecular Weight460.61 g/mol
Exact Mass460.30
IUPAC Nametridecanedioic acid;undecanedioic acid
SMILESO=C(O)CCCCCCCCCC(=O)O.O=C(O)CCCCCCCCCCCC(=O)O
InChIInChI=1S/C13H24O4.C11H20O4/c14-12(15)10-8-6-4-2-1-3-5-7-9-11-13(16)17;12-10(13)8-6-4-2-1-3-5-7-9-11(14)15/h1-11H2,(H,14,15)(H,16,17);1-9H2,(H,12,13)(H,14,15)
InChIKeyGQICBDCDZGMJBH-UHFFFAOYSA-N
XLogP6.11
TPSA149.20 Ų
H-Bond Donors4
H-Bond Acceptors4
Rotatable Bonds22
Heavy Atoms32
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500460.61
LogP ≤ 56.11
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

decanedioic acid;hexanedioic acid;octanedioic acid
CID 159110511
heptadecanedioic acid
CID 3083765
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
butanedioic acid;decanedioic acid;hexanedioic acid;octanedioic acid
CID 157217252
octanedioic acid;zinc
CID 87285694
azane;tridecanedioic acid
CID 174979532
azane;decanedioic acid;nonanedioic acid
CID 174896485

Frequently Asked Questions

What is the IUPAC name of tridecanedioic acid;undecanedioic acid?
The IUPAC name of tridecanedioic acid;undecanedioic acid (CID 158333715) is tridecanedioic acid;undecanedioic acid.
What is the SMILES notation for tridecanedioic acid;undecanedioic acid?
The canonical SMILES for tridecanedioic acid;undecanedioic acid is O=C(O)CCCCCCCCCC(=O)O.O=C(O)CCCCCCCCCCCC(=O)O.
What is the InChIKey of tridecanedioic acid;undecanedioic acid?
The InChIKey is GQICBDCDZGMJBH-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H24O4.C11H20O4/c14-12(15)10-8-6-4-2-1-3-5-7-9-11-13(16)17;12-10(13)8-6-4-2-1-3-5-7-9-11(14)15/h1-11H2,(H,14,15)(H,16,17);1-9H2,(H,12,13)(H,14,15).
What are the key properties of tridecanedioic acid;undecanedioic acid?
tridecanedioic acid;undecanedioic acid has a molecular weight of 460.61 g/mol, XLogP of 6.11, 22 rotatable bonds, 4 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for tridecanedioic acid;undecanedioic acid is sourced from PubChem (CID 158333715), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).