nonadecanoic acid

C19H38O2 — CID 12591

IUPACnonadecanoic acid
SMILESCCCCCCCCCCCCCCCCCCC(=O)O
InChIInChI=1S/C19H38O2/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19(20)21/h2-18H2,1H3,(H,20,21)
InChIKeyISYWECDDZWTKFF-UHFFFAOYSA-N
MW298.51 g/mol
LogP6.72
Rot. Bonds17

About nonadecanoic acid

nonadecanoic acid (PubChem CID 12591) has the molecular formula C19H38O2 and a molecular weight of 298.51 g/mol. Its IUPAC name is nonadecanoic acid.

Molecular Properties

Compound Namenonadecanoic acid
PubChem CID12591
Molecular FormulaC19H38O2
Molecular Weight298.51 g/mol
Exact Mass298.29
IUPAC Namenonadecanoic acid
SMILESCCCCCCCCCCCCCCCCCCC(=O)O
InChIInChI=1S/C19H38O2/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19(20)21/h2-18H2,1H3,(H,20,21)
InChIKeyISYWECDDZWTKFF-UHFFFAOYSA-N
XLogP6.72
TPSA37.30 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds17
Heavy Atoms21
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500298.51
LogP ≤ 56.72
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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Related Compounds

Octanoic Acid
CID 379
Decanoic Acid
CID 2969
Lauric Acid
CID 3893
Nonanoic Acid
CID 8158
Palmitic Acid
CID 985
Azelaic Acid
CID 2266
Stearic Acid
CID 5281
Heptanoic Acid
CID 8094
Myristic Acid
CID 11005
Sebacic Acid
CID 5192
Undecanoic Acid
CID 8180
Docosanoic Acid
CID 8215

Frequently Asked Questions

What is the IUPAC name of nonadecanoic acid?
The IUPAC name of nonadecanoic acid (CID 12591) is nonadecanoic acid.
What is the SMILES notation for nonadecanoic acid?
The canonical SMILES for nonadecanoic acid is CCCCCCCCCCCCCCCCCCC(=O)O.
What is the InChIKey of nonadecanoic acid?
The InChIKey is ISYWECDDZWTKFF-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H38O2/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19(20)21/h2-18H2,1H3,(H,20,21).
What are the key properties of nonadecanoic acid?
nonadecanoic acid has a molecular weight of 298.51 g/mol, XLogP of 6.72, 17 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for nonadecanoic acid is sourced from PubChem (CID 12591), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).