7,8-dihydroxyhexadecanedioic acid

C16H30O6 — CID 14556981

IUPAC7,8-dihydroxyhexadecanedioic acid
SMILESO=C(O)CCCCCCCC(O)C(O)CCCCCC(=O)O
InChIInChI=1S/C16H30O6/c17-13(9-5-2-1-3-7-11-15(19)20)14(18)10-6-4-8-12-16(21)22/h13-14,17-18H,1-12H2,(H,19,20)(H,21,22)
InChIKeyDVIKJRSTGGXNJP-UHFFFAOYSA-N
MW318.41 g/mol
LogP2.56
Rot. Bonds15

About 7,8-dihydroxyhexadecanedioic acid

7,8-dihydroxyhexadecanedioic acid (PubChem CID 14556981) has the molecular formula C16H30O6 and a molecular weight of 318.41 g/mol. Its IUPAC name is 7,8-dihydroxyhexadecanedioic acid.

Molecular Properties

Compound Name7,8-dihydroxyhexadecanedioic acid
PubChem CID14556981
Molecular FormulaC16H30O6
Molecular Weight318.41 g/mol
Exact Mass318.20
IUPAC Name7,8-dihydroxyhexadecanedioic acid
SMILESO=C(O)CCCCCCCC(O)C(O)CCCCCC(=O)O
InChIInChI=1S/C16H30O6/c17-13(9-5-2-1-3-7-11-15(19)20)14(18)10-6-4-8-12-16(21)22/h13-14,17-18H,1-12H2,(H,19,20)(H,21,22)
InChIKeyDVIKJRSTGGXNJP-UHFFFAOYSA-N
XLogP2.56
TPSA115.06 Ų
H-Bond Donors4
H-Bond Acceptors4
Rotatable Bonds15
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500318.41
LogP ≤ 52.56
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

(9R,10R)-9,10,16-trihydroxyhexadecanoic acid
CID 7060884
19,20,21-trihydroxyhenicosanoic acid
CID 54189389
(9S,10S)-9,10,16-trihydroxyhexadecanoic acid
CID 7269318
17,18,19-trihydroxypentatriacontanedioic acid
CID 22665136
(19R,20R)-19,20-dihydroxydocosanoic acid
CID 131704445
(7S,8S)-7,8-dihydroxytetradecanoic acid
CID 101332605
(10R,11R)-10,11-dihydroxydodecanoic acid
CID 91394357
5,6-dihydroxyoctadecanoic acid
CID 5282926
octanoic acid;tridecane-1,2,3-triol
CID 162007847
5-hydroxytridecanedioic acid
CID 139805426
19-hydroxyicosanoic acid
CID 14535566
20-hydroxyhenicosanoic acid
CID 19591814

Frequently Asked Questions

What is the IUPAC name of 7,8-dihydroxyhexadecanedioic acid?
The IUPAC name of 7,8-dihydroxyhexadecanedioic acid (CID 14556981) is 7,8-dihydroxyhexadecanedioic acid.
What is the SMILES notation for 7,8-dihydroxyhexadecanedioic acid?
The canonical SMILES for 7,8-dihydroxyhexadecanedioic acid is O=C(O)CCCCCCCC(O)C(O)CCCCCC(=O)O.
What is the InChIKey of 7,8-dihydroxyhexadecanedioic acid?
The InChIKey is DVIKJRSTGGXNJP-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H30O6/c17-13(9-5-2-1-3-7-11-15(19)20)14(18)10-6-4-8-12-16(21)22/h13-14,17-18H,1-12H2,(H,19,20)(H,21,22).
What are the key properties of 7,8-dihydroxyhexadecanedioic acid?
7,8-dihydroxyhexadecanedioic acid has a molecular weight of 318.41 g/mol, XLogP of 2.56, 15 rotatable bonds, 4 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 7,8-dihydroxyhexadecanedioic acid is sourced from PubChem (CID 14556981), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).