tetradecanedioic acid

C14H26O4 — CID 13185

IUPACtetradecanedioic acid
SMILESO=C(O)CCCCCCCCCCCCC(=O)O
InChIInChI=1S/C14H26O4/c15-13(16)11-9-7-5-3-1-2-4-6-8-10-12-14(17)18/h1-12H2,(H,15,16)(H,17,18)
InChIKeyHQHCYKULIHKCEB-UHFFFAOYSA-N
MW258.36 g/mol
LogP3.84
Rot. Bonds13

About tetradecanedioic acid

tetradecanedioic acid (PubChem CID 13185) has the molecular formula C14H26O4 and a molecular weight of 258.36 g/mol. Its IUPAC name is tetradecanedioic acid.

Molecular Properties

Compound Nametetradecanedioic acid
PubChem CID13185
Molecular FormulaC14H26O4
Molecular Weight258.36 g/mol
Exact Mass258.18
IUPAC Nametetradecanedioic acid
SMILESO=C(O)CCCCCCCCCCCCC(=O)O
InChIInChI=1S/C14H26O4/c15-13(16)11-9-7-5-3-1-2-4-6-8-10-12-14(17)18/h1-12H2,(H,15,16)(H,17,18)
InChIKeyHQHCYKULIHKCEB-UHFFFAOYSA-N
XLogP3.84
TPSA74.60 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds13
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500258.36
LogP ≤ 53.84
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

tridecanedioic acid;undecanedioic acid
CID 158333715
decanedioic acid;hexanedioic acid;octanedioic acid
CID 159110511
heptadecanedioic acid
CID 3083765
decanedioic acid;hexanedioic acid;nonanedioic acid;octanedioic acid
CID 159068248
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
heptanedioic acid;dihydrochloride
CID 87431923
azane;tridecanedioic acid
CID 174979532

Frequently Asked Questions

What is the IUPAC name of tetradecanedioic acid?
The IUPAC name of tetradecanedioic acid (CID 13185) is tetradecanedioic acid.
What is the SMILES notation for tetradecanedioic acid?
The canonical SMILES for tetradecanedioic acid is O=C(O)CCCCCCCCCCCCC(=O)O.
What is the InChIKey of tetradecanedioic acid?
The InChIKey is HQHCYKULIHKCEB-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H26O4/c15-13(16)11-9-7-5-3-1-2-4-6-8-10-12-14(17)18/h1-12H2,(H,15,16)(H,17,18).
What are the key properties of tetradecanedioic acid?
tetradecanedioic acid has a molecular weight of 258.36 g/mol, XLogP of 3.84, 13 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for tetradecanedioic acid is sourced from PubChem (CID 13185), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).