(Z,5R,8R,11R)-5,8,11-trihydroxyoctadec-9-enoic acid

C18H34O5 — CID 93472788

IUPAC(Z,5R,8R,11R)-5,8,11-trihydroxyoctadec-9-enoic acid
SMILESCCCCCCC[C@@H](O)/C=C\[C@H](O)CC[C@H](O)CCCC(=O)O
InChIInChI=1S/C18H34O5/c1-2-3-4-5-6-8-15(19)11-13-17(21)14-12-16(20)9-7-10-18(22)23/h11,13,15-17,19-21H,2-10,12,14H2,1H3,(H,22,23)/b13-11-/t15-,16-,17+/m1/s1
InChIKeyFITAKYVPWCVTII-UKHAXTBBSA-N
MW330.47 g/mol
LogP3.02
Rot. Bonds15

About (Z,5R,8R,11R)-5,8,11-trihydroxyoctadec-9-enoic acid

(Z,5R,8R,11R)-5,8,11-trihydroxyoctadec-9-enoic acid (PubChem CID 93472788) has the molecular formula C18H34O5 and a molecular weight of 330.47 g/mol. Its IUPAC name is (Z,5R,8R,11R)-5,8,11-trihydroxyoctadec-9-enoic acid.

Molecular Properties

Compound Name(Z,5R,8R,11R)-5,8,11-trihydroxyoctadec-9-enoic acid
PubChem CID93472788
Molecular FormulaC18H34O5
Molecular Weight330.47 g/mol
Exact Mass330.24
IUPAC Name(Z,5R,8R,11R)-5,8,11-trihydroxyoctadec-9-enoic acid
SMILESCCCCCCC[C@@H](O)/C=C\[C@H](O)CC[C@H](O)CCCC(=O)O
InChIInChI=1S/C18H34O5/c1-2-3-4-5-6-8-15(19)11-13-17(21)14-12-16(20)9-7-10-18(22)23/h11,13,15-17,19-21H,2-10,12,14H2,1H3,(H,22,23)/b13-11-/t15-,16-,17+/m1/s1
InChIKeyFITAKYVPWCVTII-UKHAXTBBSA-N
XLogP3.02
TPSA97.99 Ų
H-Bond Donors4
H-Bond Acceptors4
Rotatable Bonds15
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500330.47
LogP ≤ 53.02
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

(Z)-7,10-dihydroxyoctadec-8-enoic acid
CID 56776194
(E,10R,13S)-10,13-dihydroxyicos-11-enoic acid
CID 10020286
(E,8R,11S)-8,11-dihydroxyoctadec-9-enoic acid
CID 10448375
(E,10S,13S)-10,13-dihydroxyicos-11-enoic acid
CID 10315363
(E,5R,8R,12S)-5,8,12-trihydroxyoctadec-9-enoic acid
CID 163029856
5-hydroxyhexadecanoic acid
CID 5312761
5,8-dihydroxyoctadec-9-enoic acid
CID 74202868
18,21-dihydroxytriacontanoic acid
CID 169277047
5-hydroxydecanoic acid
CID 161390265
(5S)-5-hydroxydecanoic acid
CID 6604110
13-hydroxyoctadecanoic acid
CID 5282911
(10S)-10-hydroxyoctadecanoic acid
CID 91864452

Frequently Asked Questions

What is the IUPAC name of (Z,5R,8R,11R)-5,8,11-trihydroxyoctadec-9-enoic acid?
The IUPAC name of (Z,5R,8R,11R)-5,8,11-trihydroxyoctadec-9-enoic acid (CID 93472788) is (Z,5R,8R,11R)-5,8,11-trihydroxyoctadec-9-enoic acid.
What is the SMILES notation for (Z,5R,8R,11R)-5,8,11-trihydroxyoctadec-9-enoic acid?
The canonical SMILES for (Z,5R,8R,11R)-5,8,11-trihydroxyoctadec-9-enoic acid is CCCCCCC[C@@H](O)/C=C\[C@H](O)CC[C@H](O)CCCC(=O)O.
What is the InChIKey of (Z,5R,8R,11R)-5,8,11-trihydroxyoctadec-9-enoic acid?
The InChIKey is FITAKYVPWCVTII-UKHAXTBBSA-N. The full InChI is InChI=1S/C18H34O5/c1-2-3-4-5-6-8-15(19)11-13-17(21)14-12-16(20)9-7-10-18(22)23/h11,13,15-17,19-21H,2-10,12,14H2,1H3,(H,22,23)/b13-11-/t15-,16-,17+/m1/s1.
What are the key properties of (Z,5R,8R,11R)-5,8,11-trihydroxyoctadec-9-enoic acid?
(Z,5R,8R,11R)-5,8,11-trihydroxyoctadec-9-enoic acid has a molecular weight of 330.47 g/mol, XLogP of 3.02, 15 rotatable bonds, 4 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (Z,5R,8R,11R)-5,8,11-trihydroxyoctadec-9-enoic acid is sourced from PubChem (CID 93472788), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).