(6Z,9S,10E,12Z)-9-hydroxyhexadeca-6,10,12,15-tetraenoic acid

C16H24O3 — CID 162875194

IUPAC(6Z,9S,10E,12Z)-9-hydroxyhexadeca-6,10,12,15-tetraenoic acid
SMILESC=CC/C=C\C=C\[C@@H](O)C/C=C\CCCCC(=O)O
InChIInChI=1S/C16H24O3/c1-2-3-4-6-9-12-15(17)13-10-7-5-8-11-14-16(18)19/h2,4,6-7,9-10,12,15,17H,1,3,5,8,11,13-14H2,(H,18,19)/b6-4-,10-7-,12-9+/t15-/m1/s1
InChIKeyNFDPIAFIGHELOJ-FJQSMFNXSA-N
MW264.37 g/mol
LogP3.63
Rot. Bonds11

About (6Z,9S,10E,12Z)-9-hydroxyhexadeca-6,10,12,15-tetraenoic acid

(6Z,9S,10E,12Z)-9-hydroxyhexadeca-6,10,12,15-tetraenoic acid (PubChem CID 162875194) has the molecular formula C16H24O3 and a molecular weight of 264.37 g/mol. Its IUPAC name is (6Z,9S,10E,12Z)-9-hydroxyhexadeca-6,10,12,15-tetraenoic acid.

Molecular Properties

Compound Name(6Z,9S,10E,12Z)-9-hydroxyhexadeca-6,10,12,15-tetraenoic acid
PubChem CID162875194
Molecular FormulaC16H24O3
Molecular Weight264.37 g/mol
Exact Mass264.17
IUPAC Name(6Z,9S,10E,12Z)-9-hydroxyhexadeca-6,10,12,15-tetraenoic acid
SMILESC=CC/C=C\C=C\[C@@H](O)C/C=C\CCCCC(=O)O
InChIInChI=1S/C16H24O3/c1-2-3-4-6-9-12-15(17)13-10-7-5-8-11-14-16(18)19/h2,4,6-7,9-10,12,15,17H,1,3,5,8,11,13-14H2,(H,18,19)/b6-4-,10-7-,12-9+/t15-/m1/s1
InChIKeyNFDPIAFIGHELOJ-FJQSMFNXSA-N
XLogP3.63
TPSA57.53 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds11
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500264.37
LogP ≤ 53.63
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

Leukotriene B4
CID 5280492
5-Hydroxyeicosatetraenoic Acid
CID 5280733
15(s)-Hete
CID 5280724
20-Hydroxy-leukotriene B4
CID 5280745
Resolvin E1
CID 10473088
12S-Hete
CID 5283155
20-Carboxyleukotriene B4
CID 5280877
9(S)-Hode
CID 5312830
15(S)-Hpete
CID 5280893
8(S)-Hete
CID 5283154
(9Z,11E,13S)-13-Hydroxyoctadeca-9,11-Dienoic Acid
CID 6443013
(4Z,7Z,10Z,13Z,15E,19Z)-17-Hydroxy-4,7,10,13,15,19-docosahexaenoic acid
CID 6439179

Frequently Asked Questions

What is the IUPAC name of (6Z,9S,10E,12Z)-9-hydroxyhexadeca-6,10,12,15-tetraenoic acid?
The IUPAC name of (6Z,9S,10E,12Z)-9-hydroxyhexadeca-6,10,12,15-tetraenoic acid (CID 162875194) is (6Z,9S,10E,12Z)-9-hydroxyhexadeca-6,10,12,15-tetraenoic acid.
What is the SMILES notation for (6Z,9S,10E,12Z)-9-hydroxyhexadeca-6,10,12,15-tetraenoic acid?
The canonical SMILES for (6Z,9S,10E,12Z)-9-hydroxyhexadeca-6,10,12,15-tetraenoic acid is C=CC/C=C\C=C\[C@@H](O)C/C=C\CCCCC(=O)O.
What is the InChIKey of (6Z,9S,10E,12Z)-9-hydroxyhexadeca-6,10,12,15-tetraenoic acid?
The InChIKey is NFDPIAFIGHELOJ-FJQSMFNXSA-N. The full InChI is InChI=1S/C16H24O3/c1-2-3-4-6-9-12-15(17)13-10-7-5-8-11-14-16(18)19/h2,4,6-7,9-10,12,15,17H,1,3,5,8,11,13-14H2,(H,18,19)/b6-4-,10-7-,12-9+/t15-/m1/s1.
What are the key properties of (6Z,9S,10E,12Z)-9-hydroxyhexadeca-6,10,12,15-tetraenoic acid?
(6Z,9S,10E,12Z)-9-hydroxyhexadeca-6,10,12,15-tetraenoic acid has a molecular weight of 264.37 g/mol, XLogP of 3.63, 11 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (6Z,9S,10E,12Z)-9-hydroxyhexadeca-6,10,12,15-tetraenoic acid is sourced from PubChem (CID 162875194), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).