2-hydroxyethyl (E)-9-hydroxynon-2-enoate

C11H20O4 — CID 86301644

IUPAC2-hydroxyethyl (E)-9-hydroxynon-2-enoate
SMILESO=C(/C=C/CCCCCCO)OCCO
InChIInChI=1S/C11H20O4/c12-8-6-4-2-1-3-5-7-11(14)15-10-9-13/h5,7,12-13H,1-4,6,8-10H2/b7-5+
InChIKeyHTMJZPCOAYWJEU-FNORWQNLSA-N
MW216.28 g/mol
LogP1.02
Rot. Bonds9

About 2-hydroxyethyl (E)-9-hydroxynon-2-enoate

2-hydroxyethyl (E)-9-hydroxynon-2-enoate (PubChem CID 86301644) has the molecular formula C11H20O4 and a molecular weight of 216.28 g/mol. Its IUPAC name is 2-hydroxyethyl (E)-9-hydroxynon-2-enoate.

Molecular Properties

Compound Name2-hydroxyethyl (E)-9-hydroxynon-2-enoate
PubChem CID86301644
Molecular FormulaC11H20O4
Molecular Weight216.28 g/mol
Exact Mass216.14
IUPAC Name2-hydroxyethyl (E)-9-hydroxynon-2-enoate
SMILESO=C(/C=C/CCCCCCO)OCCO
InChIInChI=1S/C11H20O4/c12-8-6-4-2-1-3-5-7-11(14)15-10-9-13/h5,7,12-13H,1-4,6,8-10H2/b7-5+
InChIKeyHTMJZPCOAYWJEU-FNORWQNLSA-N
XLogP1.02
TPSA66.76 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds9
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500216.28
LogP ≤ 51.02
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}

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Related Compounds

2,3-dihydroxypropanoyl (E)-10-hydroxydec-2-enoate
CID 141439352
3-(2-methoxyethoxymethoxy)propyl 10-hydroxydec-2-enoate
CID 173181420
(E)-10-hydroxydec-2-enoic acid
CID 5312738
bis(2-hydroxyethyl) (E)-but-2-enedioate
CID 14094562
butyl icos-2-enoate
CID 91561454
dodecyl octadec-2-enoate
CID 71338613
heptyl icos-2-enoate
CID 91580884
tetradecyl tetradec-2-enoate
CID 71404583
tetratriacontyl icos-2-enoate
CID 175935411
pentadecyl icos-2-enoate
CID 175935360
2-hydroxyethyl 2-methylideneheptanoate;2-hydroxyethyl oct-2-enoate
CID 157232457
(E)-10-(10-hydroxydecanoyloxy)dec-2-enoic acid
CID 11530520

Frequently Asked Questions

What is the IUPAC name of 2-hydroxyethyl (E)-9-hydroxynon-2-enoate?
The IUPAC name of 2-hydroxyethyl (E)-9-hydroxynon-2-enoate (CID 86301644) is 2-hydroxyethyl (E)-9-hydroxynon-2-enoate.
What is the SMILES notation for 2-hydroxyethyl (E)-9-hydroxynon-2-enoate?
The canonical SMILES for 2-hydroxyethyl (E)-9-hydroxynon-2-enoate is O=C(/C=C/CCCCCCO)OCCO.
What is the InChIKey of 2-hydroxyethyl (E)-9-hydroxynon-2-enoate?
The InChIKey is HTMJZPCOAYWJEU-FNORWQNLSA-N. The full InChI is InChI=1S/C11H20O4/c12-8-6-4-2-1-3-5-7-11(14)15-10-9-13/h5,7,12-13H,1-4,6,8-10H2/b7-5+.
What are the key properties of 2-hydroxyethyl (E)-9-hydroxynon-2-enoate?
2-hydroxyethyl (E)-9-hydroxynon-2-enoate has a molecular weight of 216.28 g/mol, XLogP of 1.02, 9 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-hydroxyethyl (E)-9-hydroxynon-2-enoate is sourced from PubChem (CID 86301644), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).