triacontanoic acid

C30H60O2 — CID 10471

IUPACtriacontanoic acid
SMILESCCCCCCCCCCCCCCCCCCCCCCCCCCCCCC(=O)O
InChIInChI=1S/C30H60O2/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-20-21-22-23-24-25-26-27-28-29-30(31)32/h2-29H2,1H3,(H,31,32)
InChIKeyVHOCUJPBKOZGJD-UHFFFAOYSA-N
MW452.81 g/mol
LogP11.01
Rot. Bonds28

About triacontanoic acid

triacontanoic acid (PubChem CID 10471) has the molecular formula C30H60O2 and a molecular weight of 452.81 g/mol. Its IUPAC name is triacontanoic acid.

Molecular Properties

Compound Nametriacontanoic acid
PubChem CID10471
Molecular FormulaC30H60O2
Molecular Weight452.81 g/mol
Exact Mass452.46
IUPAC Nametriacontanoic acid
SMILESCCCCCCCCCCCCCCCCCCCCCCCCCCCCCC(=O)O
InChIInChI=1S/C30H60O2/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-20-21-22-23-24-25-26-27-28-29-30(31)32/h2-29H2,1H3,(H,31,32)
InChIKeyVHOCUJPBKOZGJD-UHFFFAOYSA-N
XLogP11.01
TPSA37.30 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds28
Heavy Atoms32
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500452.81
LogP ≤ 511.01
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of triacontanoic acid?
The IUPAC name of triacontanoic acid (CID 10471) is triacontanoic acid.
What is the SMILES notation for triacontanoic acid?
The canonical SMILES for triacontanoic acid is CCCCCCCCCCCCCCCCCCCCCCCCCCCCCC(=O)O.
What is the InChIKey of triacontanoic acid?
The InChIKey is VHOCUJPBKOZGJD-UHFFFAOYSA-N. The full InChI is InChI=1S/C30H60O2/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-20-21-22-23-24-25-26-27-28-29-30(31)32/h2-29H2,1H3,(H,31,32).
What are the key properties of triacontanoic acid?
triacontanoic acid has a molecular weight of 452.81 g/mol, XLogP of 11.01, 28 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for triacontanoic acid is sourced from PubChem (CID 10471), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).