(E)-7,10,18-trihydroxyoctadec-8-enoic acid

C18H34O5 — CID 146242215

IUPAC(E)-7,10,18-trihydroxyoctadec-8-enoic acid
SMILESO=C(O)CCCCCC(O)/C=C/C(O)CCCCCCCCO
InChIInChI=1S/C18H34O5/c19-15-9-4-2-1-3-6-10-16(20)13-14-17(21)11-7-5-8-12-18(22)23/h13-14,16-17,19-21H,1-12,15H2,(H,22,23)/b14-13+
InChIKeyXFTHNINNUNWHSK-BUHFOSPRSA-N
MW330.47 g/mol
LogP3.02
Rot. Bonds16

About (E)-7,10,18-trihydroxyoctadec-8-enoic acid

(E)-7,10,18-trihydroxyoctadec-8-enoic acid (PubChem CID 146242215) has the molecular formula C18H34O5 and a molecular weight of 330.47 g/mol. Its IUPAC name is (E)-7,10,18-trihydroxyoctadec-8-enoic acid.

Molecular Properties

Compound Name(E)-7,10,18-trihydroxyoctadec-8-enoic acid
PubChem CID146242215
Molecular FormulaC18H34O5
Molecular Weight330.47 g/mol
Exact Mass330.24
IUPAC Name(E)-7,10,18-trihydroxyoctadec-8-enoic acid
SMILESO=C(O)CCCCCC(O)/C=C/C(O)CCCCCCCCO
InChIInChI=1S/C18H34O5/c19-15-9-4-2-1-3-6-10-16(20)13-14-17(21)11-7-5-8-12-18(22)23/h13-14,16-17,19-21H,1-12,15H2,(H,22,23)/b14-13+
InChIKeyXFTHNINNUNWHSK-BUHFOSPRSA-N
XLogP3.02
TPSA97.99 Ų
H-Bond Donors4
H-Bond Acceptors4
Rotatable Bonds16
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

(9R,10R)-9,10,16-trihydroxyhexadecanoic acid
CID 7060884
(9S)-9,18-dihydroxyoctadecanoic acid
CID 163000133
(9S,10S)-9,10,16-trihydroxyhexadecanoic acid
CID 7269318
(Z)-7,10-dihydroxyoctadec-8-enoic acid
CID 56776194
(E,8R,11S)-8,11-dihydroxyoctadec-9-enoic acid
CID 10448375
(E,10R,13S)-10,13-dihydroxyicos-11-enoic acid
CID 10020286
(E,10S,13S)-10,13-dihydroxyicos-11-enoic acid
CID 10315363
butane-1,4-diol;hexanedioic acid;bis(hexane-1,6-diol)
CID 161164712
10-hydroxydecanoic acid
CID 138734563
31-hydroxyhentriacontanoic acid
CID 71339995
38-hydroxyoctatriacontanoic acid
CID 18981443
hexane-1,6-diol;tetradecanedioic acid
CID 158984327

Frequently Asked Questions

What is the IUPAC name of (E)-7,10,18-trihydroxyoctadec-8-enoic acid?
The IUPAC name of (E)-7,10,18-trihydroxyoctadec-8-enoic acid (CID 146242215) is (E)-7,10,18-trihydroxyoctadec-8-enoic acid.
What is the SMILES notation for (E)-7,10,18-trihydroxyoctadec-8-enoic acid?
The canonical SMILES for (E)-7,10,18-trihydroxyoctadec-8-enoic acid is O=C(O)CCCCCC(O)/C=C/C(O)CCCCCCCCO.
What is the InChIKey of (E)-7,10,18-trihydroxyoctadec-8-enoic acid?
The InChIKey is XFTHNINNUNWHSK-BUHFOSPRSA-N. The full InChI is InChI=1S/C18H34O5/c19-15-9-4-2-1-3-6-10-16(20)13-14-17(21)11-7-5-8-12-18(22)23/h13-14,16-17,19-21H,1-12,15H2,(H,22,23)/b14-13+.
What are the key properties of (E)-7,10,18-trihydroxyoctadec-8-enoic acid?
(E)-7,10,18-trihydroxyoctadec-8-enoic acid has a molecular weight of 330.47 g/mol, XLogP of 3.02, 16 rotatable bonds, 4 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (E)-7,10,18-trihydroxyoctadec-8-enoic acid is sourced from PubChem (CID 146242215), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).