2,3-dihydroxypropanoyl (E)-10-hydroxydec-2-enoate

C13H22O6 — CID 141439352

IUPAC2,3-dihydroxypropanoyl (E)-10-hydroxydec-2-enoate
SMILESO=C(/C=C/CCCCCCCO)OC(=O)C(O)CO
InChIInChI=1S/C13H22O6/c14-9-7-5-3-1-2-4-6-8-12(17)19-13(18)11(16)10-15/h6,8,11,14-16H,1-5,7,9-10H2/b8-6+
InChIKeyNICOIEVXNWABKH-SOFGYWHQSA-N
MW274.31 g/mol
LogP0.30
Rot. Bonds10

About 2,3-dihydroxypropanoyl (E)-10-hydroxydec-2-enoate

2,3-dihydroxypropanoyl (E)-10-hydroxydec-2-enoate (PubChem CID 141439352) has the molecular formula C13H22O6 and a molecular weight of 274.31 g/mol. Its IUPAC name is 2,3-dihydroxypropanoyl (E)-10-hydroxydec-2-enoate.

Molecular Properties

Compound Name2,3-dihydroxypropanoyl (E)-10-hydroxydec-2-enoate
PubChem CID141439352
Molecular FormulaC13H22O6
Molecular Weight274.31 g/mol
Exact Mass274.14
IUPAC Name2,3-dihydroxypropanoyl (E)-10-hydroxydec-2-enoate
SMILESO=C(/C=C/CCCCCCCO)OC(=O)C(O)CO
InChIInChI=1S/C13H22O6/c14-9-7-5-3-1-2-4-6-8-12(17)19-13(18)11(16)10-15/h6,8,11,14-16H,1-5,7,9-10H2/b8-6+
InChIKeyNICOIEVXNWABKH-SOFGYWHQSA-N
XLogP0.30
TPSA104.06 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds10
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500274.31
LogP ≤ 50.30
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'beta-keto/anhydride', 'substructure': 'N/A'}, {'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}

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Related Compounds

2-hydroxyethyl (E)-9-hydroxynon-2-enoate
CID 86301644
2,3-dihydroxypropanoyl undec-10-enoate
CID 22325969
(E)-10-hydroxydec-2-enoic acid
CID 5312738
undec-2-enoyl undec-2-enoate
CID 54428963
2,3-dihydroxypropyl (Z)-octadec-2-enoate
CID 162719596
2,3-dihydroxypropyl pentadec-2-enoate
CID 154029463
2,3-dihydroxypropyl (E)-heptadec-2-enoate
CID 137478221
2,3-dihydroxypropyl (E)-octadec-2-enoate
CID 14455197
methyl (E)-9,10-dihydroxydec-2-enoate
CID 59411834
1,4-dioxo-1,4-di(undec-2-enoyloxy)butane-2-sulfonic acid
CID 87616471
bis(2,3-dihydroxypropanoyl) 2-[(7Z,10Z)-hexadeca-7,10-dienyl]-3-[(Z)-hexadec-7-enyl]butanedioate
CID 141133574
3-(2-methoxyethoxymethoxy)propyl 10-hydroxydec-2-enoate
CID 173181420

Frequently Asked Questions

What is the IUPAC name of 2,3-dihydroxypropanoyl (E)-10-hydroxydec-2-enoate?
The IUPAC name of 2,3-dihydroxypropanoyl (E)-10-hydroxydec-2-enoate (CID 141439352) is 2,3-dihydroxypropanoyl (E)-10-hydroxydec-2-enoate.
What is the SMILES notation for 2,3-dihydroxypropanoyl (E)-10-hydroxydec-2-enoate?
The canonical SMILES for 2,3-dihydroxypropanoyl (E)-10-hydroxydec-2-enoate is O=C(/C=C/CCCCCCCO)OC(=O)C(O)CO.
What is the InChIKey of 2,3-dihydroxypropanoyl (E)-10-hydroxydec-2-enoate?
The InChIKey is NICOIEVXNWABKH-SOFGYWHQSA-N. The full InChI is InChI=1S/C13H22O6/c14-9-7-5-3-1-2-4-6-8-12(17)19-13(18)11(16)10-15/h6,8,11,14-16H,1-5,7,9-10H2/b8-6+.
What are the key properties of 2,3-dihydroxypropanoyl (E)-10-hydroxydec-2-enoate?
2,3-dihydroxypropanoyl (E)-10-hydroxydec-2-enoate has a molecular weight of 274.31 g/mol, XLogP of 0.30, 10 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2,3-dihydroxypropanoyl (E)-10-hydroxydec-2-enoate is sourced from PubChem (CID 141439352), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).