16,16,16-trihydroxyhexadecanoic acid

C16H32O5 — CID 57274124

IUPAC16,16,16-trihydroxyhexadecanoic acid
SMILESO=C(O)CCCCCCCCCCCCCCC(O)(O)O
InChIInChI=1S/C16H32O5/c17-15(18)13-11-9-7-5-3-1-2-4-6-8-10-12-14-16(19,20)21/h19-21H,1-14H2,(H,17,18)
InChIKeyOWGDCENIOHFPHD-UHFFFAOYSA-N
MW304.43 g/mol
LogP3.16
Rot. Bonds15

About 16,16,16-trihydroxyhexadecanoic acid

16,16,16-trihydroxyhexadecanoic acid (PubChem CID 57274124) has the molecular formula C16H32O5 and a molecular weight of 304.43 g/mol. Its IUPAC name is 16,16,16-trihydroxyhexadecanoic acid.

Molecular Properties

Compound Name16,16,16-trihydroxyhexadecanoic acid
PubChem CID57274124
Molecular FormulaC16H32O5
Molecular Weight304.43 g/mol
Exact Mass304.22
IUPAC Name16,16,16-trihydroxyhexadecanoic acid
SMILESO=C(O)CCCCCCCCCCCCCCC(O)(O)O
InChIInChI=1S/C16H32O5/c17-15(18)13-11-9-7-5-3-1-2-4-6-8-10-12-14-16(19,20)21/h19-21H,1-14H2,(H,17,18)
InChIKeyOWGDCENIOHFPHD-UHFFFAOYSA-N
XLogP3.16
TPSA97.99 Ų
H-Bond Donors4
H-Bond Acceptors4
Rotatable Bonds15
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500304.43
LogP ≤ 53.16
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'het-C-het_not_in_ring', 'substructure': 'N/A'}

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Related Compounds

14-hydroxy-14-methylpentadecanoic acid
CID 548142
bis(butane-1,1,1-triol);heptanoic acid
CID 174770865
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
triacontanedioic acid
CID 5322010
dodecanedioic acid;bis(tridecanedioic acid)
CID 87373965
decanedioic acid;icosanedioic acid
CID 161217033
calcium;decanedioic acid;hydride;zinc
CID 174761072

Frequently Asked Questions

What is the IUPAC name of 16,16,16-trihydroxyhexadecanoic acid?
The IUPAC name of 16,16,16-trihydroxyhexadecanoic acid (CID 57274124) is 16,16,16-trihydroxyhexadecanoic acid.
What is the SMILES notation for 16,16,16-trihydroxyhexadecanoic acid?
The canonical SMILES for 16,16,16-trihydroxyhexadecanoic acid is O=C(O)CCCCCCCCCCCCCCC(O)(O)O.
What is the InChIKey of 16,16,16-trihydroxyhexadecanoic acid?
The InChIKey is OWGDCENIOHFPHD-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H32O5/c17-15(18)13-11-9-7-5-3-1-2-4-6-8-10-12-14-16(19,20)21/h19-21H,1-14H2,(H,17,18).
What are the key properties of 16,16,16-trihydroxyhexadecanoic acid?
16,16,16-trihydroxyhexadecanoic acid has a molecular weight of 304.43 g/mol, XLogP of 3.16, 15 rotatable bonds, 4 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 16,16,16-trihydroxyhexadecanoic acid is sourced from PubChem (CID 57274124), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).