9,10-dihydroxyhexadec-9-enoic acid

C16H30O4 — CID 173275497

IUPAC9,10-dihydroxyhexadec-9-enoic acid
SMILESCCCCCCC(O)=C(O)CCCCCCCC(=O)O
InChIInChI=1S/C16H30O4/c1-2-3-4-8-11-14(17)15(18)12-9-6-5-7-10-13-16(19)20/h17-18H,2-13H2,1H3,(H,19,20)
InChIKeyRZSJRWVZGIXHJP-UHFFFAOYSA-N
MW286.41 g/mol
LogP5.10
Rot. Bonds13

About 9,10-dihydroxyhexadec-9-enoic acid

9,10-dihydroxyhexadec-9-enoic acid (PubChem CID 173275497) has the molecular formula C16H30O4 and a molecular weight of 286.41 g/mol. Its IUPAC name is 9,10-dihydroxyhexadec-9-enoic acid.

Molecular Properties

Compound Name9,10-dihydroxyhexadec-9-enoic acid
PubChem CID173275497
Molecular FormulaC16H30O4
Molecular Weight286.41 g/mol
Exact Mass286.21
IUPAC Name9,10-dihydroxyhexadec-9-enoic acid
SMILESCCCCCCC(O)=C(O)CCCCCCCC(=O)O
InChIInChI=1S/C16H30O4/c1-2-3-4-8-11-14(17)15(18)12-9-6-5-7-10-13-16(19)20/h17-18H,2-13H2,1H3,(H,19,20)
InChIKeyRZSJRWVZGIXHJP-UHFFFAOYSA-N
XLogP5.10
TPSA77.76 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds13
Heavy Atoms20
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500286.41
LogP ≤ 55.10
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'acyclic_C=C-O', 'substructure': 'N/A'}, {'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

bis(decanoic acid);bis(octanoic acid)
CID 160578094
decanoic acid;bis(nonanoic acid)
CID 159376136
henicosane;tetracontanoic acid
CID 175935348
henicosane;tricosanoic acid
CID 175935357
decanoic acid;tetradecanoic acid
CID 87611521
decanoic acid;dodecanoic acid;hexadecanoic acid;octanoic acid;tetradecanoic acid
CID 159524024
decanoic acid;bis(dodecanoic acid)
CID 88765096
bis(hexanedioic acid);bis(tridecane)
CID 173306988
decanedioic acid;nonane
CID 25154161
decanoic acid
CID 158633075
decanoic acid;hexanedioic acid
CID 87189912
dodecanoic acid
CID 158187269

Frequently Asked Questions

What is the IUPAC name of 9,10-dihydroxyhexadec-9-enoic acid?
The IUPAC name of 9,10-dihydroxyhexadec-9-enoic acid (CID 173275497) is 9,10-dihydroxyhexadec-9-enoic acid.
What is the SMILES notation for 9,10-dihydroxyhexadec-9-enoic acid?
The canonical SMILES for 9,10-dihydroxyhexadec-9-enoic acid is CCCCCCC(O)=C(O)CCCCCCCC(=O)O.
What is the InChIKey of 9,10-dihydroxyhexadec-9-enoic acid?
The InChIKey is RZSJRWVZGIXHJP-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H30O4/c1-2-3-4-8-11-14(17)15(18)12-9-6-5-7-10-13-16(19)20/h17-18H,2-13H2,1H3,(H,19,20).
What are the key properties of 9,10-dihydroxyhexadec-9-enoic acid?
9,10-dihydroxyhexadec-9-enoic acid has a molecular weight of 286.41 g/mol, XLogP of 5.10, 13 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 9,10-dihydroxyhexadec-9-enoic acid is sourced from PubChem (CID 173275497), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).