(6E,8Z,10R,11R,12Z)-10,11-dihydroxyoctadeca-6,8,12-trienoic acid

C18H30O4 — CID 6439106

IUPAC(6E,8Z,10R,11R,12Z)-10,11-dihydroxyoctadeca-6,8,12-trienoic acid
SMILESCCCCC/C=C\[C@@H](O)[C@H](O)/C=C\C=C\CCCCC(=O)O
InChIInChI=1S/C18H30O4/c1-2-3-4-7-10-13-16(19)17(20)14-11-8-5-6-9-12-15-18(21)22/h5,8,10-11,13-14,16-17,19-20H,2-4,6-7,9,12,15H2,1H3,(H,21,22)/b8-5+,13-10-,14-11-/t16-,17-/m1/s1
InChIKeyDVKUEUADFHEKNX-UAKIAEEZSA-N
MW310.43 g/mol
LogP3.60
Rot. Bonds13

About (6E,8Z,10R,11R,12Z)-10,11-dihydroxyoctadeca-6,8,12-trienoic acid

(6E,8Z,10R,11R,12Z)-10,11-dihydroxyoctadeca-6,8,12-trienoic acid (PubChem CID 6439106) has the molecular formula C18H30O4 and a molecular weight of 310.43 g/mol. Its IUPAC name is (6E,8Z,10R,11R,12Z)-10,11-dihydroxyoctadeca-6,8,12-trienoic acid.

Molecular Properties

Compound Name(6E,8Z,10R,11R,12Z)-10,11-dihydroxyoctadeca-6,8,12-trienoic acid
PubChem CID6439106
Molecular FormulaC18H30O4
Molecular Weight310.43 g/mol
Exact Mass310.21
IUPAC Name(6E,8Z,10R,11R,12Z)-10,11-dihydroxyoctadeca-6,8,12-trienoic acid
SMILESCCCCC/C=C\[C@@H](O)[C@H](O)/C=C\C=C\CCCCC(=O)O
InChIInChI=1S/C18H30O4/c1-2-3-4-7-10-13-16(19)17(20)14-11-8-5-6-9-12-15-18(21)22/h5,8,10-11,13-14,16-17,19-20H,2-4,6-7,9,12,15H2,1H3,(H,21,22)/b8-5+,13-10-,14-11-/t16-,17-/m1/s1
InChIKeyDVKUEUADFHEKNX-UAKIAEEZSA-N
XLogP3.60
TPSA77.76 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds13
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500310.43
LogP ≤ 53.60
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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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Frequently Asked Questions

What is the IUPAC name of (6E,8Z,10R,11R,12Z)-10,11-dihydroxyoctadeca-6,8,12-trienoic acid?
The IUPAC name of (6E,8Z,10R,11R,12Z)-10,11-dihydroxyoctadeca-6,8,12-trienoic acid (CID 6439106) is (6E,8Z,10R,11R,12Z)-10,11-dihydroxyoctadeca-6,8,12-trienoic acid.
What is the SMILES notation for (6E,8Z,10R,11R,12Z)-10,11-dihydroxyoctadeca-6,8,12-trienoic acid?
The canonical SMILES for (6E,8Z,10R,11R,12Z)-10,11-dihydroxyoctadeca-6,8,12-trienoic acid is CCCCC/C=C\[C@@H](O)[C@H](O)/C=C\C=C\CCCCC(=O)O.
What is the InChIKey of (6E,8Z,10R,11R,12Z)-10,11-dihydroxyoctadeca-6,8,12-trienoic acid?
The InChIKey is DVKUEUADFHEKNX-UAKIAEEZSA-N. The full InChI is InChI=1S/C18H30O4/c1-2-3-4-7-10-13-16(19)17(20)14-11-8-5-6-9-12-15-18(21)22/h5,8,10-11,13-14,16-17,19-20H,2-4,6-7,9,12,15H2,1H3,(H,21,22)/b8-5+,13-10-,14-11-/t16-,17-/m1/s1.
What are the key properties of (6E,8Z,10R,11R,12Z)-10,11-dihydroxyoctadeca-6,8,12-trienoic acid?
(6E,8Z,10R,11R,12Z)-10,11-dihydroxyoctadeca-6,8,12-trienoic acid has a molecular weight of 310.43 g/mol, XLogP of 3.60, 13 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (6E,8Z,10R,11R,12Z)-10,11-dihydroxyoctadeca-6,8,12-trienoic acid is sourced from PubChem (CID 6439106), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).