17-tetradecanoyloxyheptadecanoic acid

C31H60O4 — CID 170564356

IUPAC17-tetradecanoyloxyheptadecanoic acid
SMILESCCCCCCCCCCCCCC(=O)OCCCCCCCCCCCCCCCCC(=O)O
InChIInChI=1S/C31H60O4/c1-2-3-4-5-6-7-12-16-19-22-25-28-31(34)35-29-26-23-20-17-14-11-9-8-10-13-15-18-21-24-27-30(32)33/h2-29H2,1H3,(H,32,33)
InChIKeyKZBNFORWPYILDC-UHFFFAOYSA-N
MW496.82 g/mol
LogP10.17
Rot. Bonds29

About 17-tetradecanoyloxyheptadecanoic acid

17-tetradecanoyloxyheptadecanoic acid (PubChem CID 170564356) has the molecular formula C31H60O4 and a molecular weight of 496.82 g/mol. Its IUPAC name is 17-tetradecanoyloxyheptadecanoic acid.

Molecular Properties

Compound Name17-tetradecanoyloxyheptadecanoic acid
PubChem CID170564356
Molecular FormulaC31H60O4
Molecular Weight496.82 g/mol
Exact Mass496.45
IUPAC Name17-tetradecanoyloxyheptadecanoic acid
SMILESCCCCCCCCCCCCCC(=O)OCCCCCCCCCCCCCCCCC(=O)O
InChIInChI=1S/C31H60O4/c1-2-3-4-5-6-7-12-16-19-22-25-28-31(34)35-29-26-23-20-17-14-11-9-8-10-13-15-18-21-24-27-30(32)33/h2-29H2,1H3,(H,32,33)
InChIKeyKZBNFORWPYILDC-UHFFFAOYSA-N
XLogP10.17
TPSA63.60 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds29
Heavy Atoms35
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500496.82
LogP ≤ 510.17
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

12-hexadecoxy-12-oxododecanoic acid
CID 174602143
6-octadecanoyloxyhexyl octadecanoate;pentacontanedioic acid
CID 175973785
9-dodecanoyloxynonanoic acid
CID 57012340
octadecakis(decanoic acid);bis(tridecyl decanoate)
CID 174050313
6-heptoxy-6-oxohexanoic acid;hexanedioic acid
CID 158770856
nonadecakis(decanoic acid);heptadecyl decanoate
CID 175591472
octadecanoic acid;octyl octanoate
CID 160923684
6-octacosoxy-6-oxohexanoic acid
CID 154142951
dodecyl octadecanoate;bis(octadecanoic acid)
CID 175591522
hexadecanoic acid;hexyl decanoate
CID 138523750
14-decoxy-14-oxotetradecanoic acid
CID 87963491
dodecanoic acid;octyl tetradecanoate
CID 175586001

Frequently Asked Questions

What is the IUPAC name of 17-tetradecanoyloxyheptadecanoic acid?
The IUPAC name of 17-tetradecanoyloxyheptadecanoic acid (CID 170564356) is 17-tetradecanoyloxyheptadecanoic acid.
What is the SMILES notation for 17-tetradecanoyloxyheptadecanoic acid?
The canonical SMILES for 17-tetradecanoyloxyheptadecanoic acid is CCCCCCCCCCCCCC(=O)OCCCCCCCCCCCCCCCCC(=O)O.
What is the InChIKey of 17-tetradecanoyloxyheptadecanoic acid?
The InChIKey is KZBNFORWPYILDC-UHFFFAOYSA-N. The full InChI is InChI=1S/C31H60O4/c1-2-3-4-5-6-7-12-16-19-22-25-28-31(34)35-29-26-23-20-17-14-11-9-8-10-13-15-18-21-24-27-30(32)33/h2-29H2,1H3,(H,32,33).
What are the key properties of 17-tetradecanoyloxyheptadecanoic acid?
17-tetradecanoyloxyheptadecanoic acid has a molecular weight of 496.82 g/mol, XLogP of 10.17, 29 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 17-tetradecanoyloxyheptadecanoic acid is sourced from PubChem (CID 170564356), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).