1-O-(2,3-dihydroxypropyl) 10-O-methyl (E)-dec-2-enedioate

C14H24O6 — CID 156581609

IUPAC1-O-(2,3-dihydroxypropyl) 10-O-methyl (E)-dec-2-enedioate
SMILESCOC(=O)CCCCCC/C=C/C(=O)OCC(O)CO
InChIInChI=1S/C14H24O6/c1-19-13(17)8-6-4-2-3-5-7-9-14(18)20-11-12(16)10-15/h7,9,12,15-16H,2-6,8,10-11H2,1H3/b9-7+
InChIKeyWABSIBOPGQPWRD-VQHVLOKHSA-N
MW288.34 g/mol
LogP0.95
Rot. Bonds11

About 1-O-(2,3-dihydroxypropyl) 10-O-methyl (E)-dec-2-enedioate

1-O-(2,3-dihydroxypropyl) 10-O-methyl (E)-dec-2-enedioate (PubChem CID 156581609) has the molecular formula C14H24O6 and a molecular weight of 288.34 g/mol. Its IUPAC name is 1-O-(2,3-dihydroxypropyl) 10-O-methyl (E)-dec-2-enedioate.

Molecular Properties

Compound Name1-O-(2,3-dihydroxypropyl) 10-O-methyl (E)-dec-2-enedioate
PubChem CID156581609
Molecular FormulaC14H24O6
Molecular Weight288.34 g/mol
Exact Mass288.16
IUPAC Name1-O-(2,3-dihydroxypropyl) 10-O-methyl (E)-dec-2-enedioate
SMILESCOC(=O)CCCCCC/C=C/C(=O)OCC(O)CO
InChIInChI=1S/C14H24O6/c1-19-13(17)8-6-4-2-3-5-7-9-14(18)20-11-12(16)10-15/h7,9,12,15-16H,2-6,8,10-11H2,1H3/b9-7+
InChIKeyWABSIBOPGQPWRD-VQHVLOKHSA-N
XLogP0.95
TPSA93.06 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds11
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500288.34
LogP ≤ 50.95
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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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Frequently Asked Questions

What is the IUPAC name of 1-O-(2,3-dihydroxypropyl) 10-O-methyl (E)-dec-2-enedioate?
The IUPAC name of 1-O-(2,3-dihydroxypropyl) 10-O-methyl (E)-dec-2-enedioate (CID 156581609) is 1-O-(2,3-dihydroxypropyl) 10-O-methyl (E)-dec-2-enedioate.
What is the SMILES notation for 1-O-(2,3-dihydroxypropyl) 10-O-methyl (E)-dec-2-enedioate?
The canonical SMILES for 1-O-(2,3-dihydroxypropyl) 10-O-methyl (E)-dec-2-enedioate is COC(=O)CCCCCC/C=C/C(=O)OCC(O)CO.
What is the InChIKey of 1-O-(2,3-dihydroxypropyl) 10-O-methyl (E)-dec-2-enedioate?
The InChIKey is WABSIBOPGQPWRD-VQHVLOKHSA-N. The full InChI is InChI=1S/C14H24O6/c1-19-13(17)8-6-4-2-3-5-7-9-14(18)20-11-12(16)10-15/h7,9,12,15-16H,2-6,8,10-11H2,1H3/b9-7+.
What are the key properties of 1-O-(2,3-dihydroxypropyl) 10-O-methyl (E)-dec-2-enedioate?
1-O-(2,3-dihydroxypropyl) 10-O-methyl (E)-dec-2-enedioate has a molecular weight of 288.34 g/mol, XLogP of 0.95, 11 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-O-(2,3-dihydroxypropyl) 10-O-methyl (E)-dec-2-enedioate is sourced from PubChem (CID 156581609), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).