triacontanedioic acid

C30H58O4 — CID 5322010

IUPACtriacontanedioic acid
SMILESO=C(O)CCCCCCCCCCCCCCCCCCCCCCCCCCCCC(=O)O
InChIInChI=1S/C30H58O4/c31-29(32)27-25-23-21-19-17-15-13-11-9-7-5-3-1-2-4-6-8-10-12-14-16-18-20-22-24-26-28-30(33)34/h1-28H2,(H,31,32)(H,33,34)
InChIKeyJADFUOUIMWDTFX-UHFFFAOYSA-N
MW482.79 g/mol
LogP10.08
Rot. Bonds29

About triacontanedioic acid

triacontanedioic acid (PubChem CID 5322010) has the molecular formula C30H58O4 and a molecular weight of 482.79 g/mol. Its IUPAC name is triacontanedioic acid.

Molecular Properties

Compound Nametriacontanedioic acid
PubChem CID5322010
Molecular FormulaC30H58O4
Molecular Weight482.79 g/mol
Exact Mass482.43
IUPAC Nametriacontanedioic acid
SMILESO=C(O)CCCCCCCCCCCCCCCCCCCCCCCCCCCCC(=O)O
InChIInChI=1S/C30H58O4/c31-29(32)27-25-23-21-19-17-15-13-11-9-7-5-3-1-2-4-6-8-10-12-14-16-18-20-22-24-26-28-30(33)34/h1-28H2,(H,31,32)(H,33,34)
InChIKeyJADFUOUIMWDTFX-UHFFFAOYSA-N
XLogP10.08
TPSA74.60 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds29
Heavy Atoms34
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500482.79
LogP ≤ 510.08
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
tetradecanedioic acid
CID 13185
decanedioic acid;tris(nonanedioic acid)
CID 159759294
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 triacontanedioic acid?
The IUPAC name of triacontanedioic acid (CID 5322010) is triacontanedioic acid.
What is the SMILES notation for triacontanedioic acid?
The canonical SMILES for triacontanedioic acid is O=C(O)CCCCCCCCCCCCCCCCCCCCCCCCCCCCC(=O)O.
What is the InChIKey of triacontanedioic acid?
The InChIKey is JADFUOUIMWDTFX-UHFFFAOYSA-N. The full InChI is InChI=1S/C30H58O4/c31-29(32)27-25-23-21-19-17-15-13-11-9-7-5-3-1-2-4-6-8-10-12-14-16-18-20-22-24-26-28-30(33)34/h1-28H2,(H,31,32)(H,33,34).
What are the key properties of triacontanedioic acid?
triacontanedioic acid has a molecular weight of 482.79 g/mol, XLogP of 10.08, 29 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for triacontanedioic acid is sourced from PubChem (CID 5322010), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).