15-pentoxypentadecanoic acid

C20H40O3 — CID 89280169

IUPAC15-pentoxypentadecanoic acid
SMILESCCCCCOCCCCCCCCCCCCCCC(=O)O
InChIInChI=1S/C20H40O3/c1-2-3-15-18-23-19-16-13-11-9-7-5-4-6-8-10-12-14-17-20(21)22/h2-19H2,1H3,(H,21,22)
InChIKeyCWNITJGCFVUZNU-UHFFFAOYSA-N
MW328.54 g/mol
LogP6.35
Rot. Bonds19

About 15-pentoxypentadecanoic acid

15-pentoxypentadecanoic acid (PubChem CID 89280169) has the molecular formula C20H40O3 and a molecular weight of 328.54 g/mol. Its IUPAC name is 15-pentoxypentadecanoic acid.

Molecular Properties

Compound Name15-pentoxypentadecanoic acid
PubChem CID89280169
Molecular FormulaC20H40O3
Molecular Weight328.54 g/mol
Exact Mass328.30
IUPAC Name15-pentoxypentadecanoic acid
SMILESCCCCCOCCCCCCCCCCCCCCC(=O)O
InChIInChI=1S/C20H40O3/c1-2-3-15-18-23-19-16-13-11-9-7-5-4-6-8-10-12-14-17-20(21)22/h2-19H2,1H3,(H,21,22)
InChIKeyCWNITJGCFVUZNU-UHFFFAOYSA-N
XLogP6.35
TPSA46.53 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds19
Heavy Atoms23
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500328.54
LogP ≤ 56.35
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

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Frequently Asked Questions

What is the IUPAC name of 15-pentoxypentadecanoic acid?
The IUPAC name of 15-pentoxypentadecanoic acid (CID 89280169) is 15-pentoxypentadecanoic acid.
What is the SMILES notation for 15-pentoxypentadecanoic acid?
The canonical SMILES for 15-pentoxypentadecanoic acid is CCCCCOCCCCCCCCCCCCCCC(=O)O.
What is the InChIKey of 15-pentoxypentadecanoic acid?
The InChIKey is CWNITJGCFVUZNU-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H40O3/c1-2-3-15-18-23-19-16-13-11-9-7-5-4-6-8-10-12-14-17-20(21)22/h2-19H2,1H3,(H,21,22).
What are the key properties of 15-pentoxypentadecanoic acid?
15-pentoxypentadecanoic acid has a molecular weight of 328.54 g/mol, XLogP of 6.35, 19 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 15-pentoxypentadecanoic acid is sourced from PubChem (CID 89280169), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).