[(2R,3R,4R,6E,8R)-3,4-diacetyloxy-8-hydroxyundeca-6,10-dien-2-yl] acetate

C17H26O7 — CID 71573610

IUPAC[(2R,3R,4R,6E,8R)-3,4-diacetyloxy-8-hydroxyundeca-6,10-dien-2-yl] acetate
SMILESC=CC[C@@H](O)/C=C/C[C@@H](OC(C)=O)[C@H](OC(C)=O)[C@@H](C)OC(C)=O
InChIInChI=1S/C17H26O7/c1-6-8-15(21)9-7-10-16(23-13(4)19)17(24-14(5)20)11(2)22-12(3)18/h6-7,9,11,15-17,21H,1,8,10H2,2-5H3/b9-7+/t11-,15-,16-,17-/m1/s1
InChIKeyVOKCQJXNYLFTAV-RQFCIRASSA-N
MW342.39 g/mol
LogP1.68
Rot. Bonds10

About [(2R,3R,4R,6E,8R)-3,4-diacetyloxy-8-hydroxyundeca-6,10-dien-2-yl] acetate

[(2R,3R,4R,6E,8R)-3,4-diacetyloxy-8-hydroxyundeca-6,10-dien-2-yl] acetate (PubChem CID 71573610) has the molecular formula C17H26O7 and a molecular weight of 342.39 g/mol. Its IUPAC name is [(2R,3R,4R,6E,8R)-3,4-diacetyloxy-8-hydroxyundeca-6,10-dien-2-yl] acetate.

Molecular Properties

Compound Name[(2R,3R,4R,6E,8R)-3,4-diacetyloxy-8-hydroxyundeca-6,10-dien-2-yl] acetate
PubChem CID71573610
Molecular FormulaC17H26O7
Molecular Weight342.39 g/mol
Exact Mass342.17
IUPAC Name[(2R,3R,4R,6E,8R)-3,4-diacetyloxy-8-hydroxyundeca-6,10-dien-2-yl] acetate
SMILESC=CC[C@@H](O)/C=C/C[C@@H](OC(C)=O)[C@H](OC(C)=O)[C@@H](C)OC(C)=O
InChIInChI=1S/C17H26O7/c1-6-8-15(21)9-7-10-16(23-13(4)19)17(24-14(5)20)11(2)22-12(3)18/h6-7,9,11,15-17,21H,1,8,10H2,2-5H3/b9-7+/t11-,15-,16-,17-/m1/s1
InChIKeyVOKCQJXNYLFTAV-RQFCIRASSA-N
XLogP1.68
TPSA99.13 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds10
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500342.39
LogP ≤ 51.68
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

Structural Alerts{'alert_name': '>_2_ester_groups', 'substructure': 'N/A'}, {'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

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Related Compounds

(3,4-diacetyloxy-2-ethenoxypentyl) acetate
CID 123279901
[(2S,3S,4S,5R)-3,4,5-triacetyloxyhexan-2-yl] acetate
CID 92643864
(5E)-2-methyldeca-5,9-diene-3,7-diol
CID 165357860
[(2R)-pent-4-en-2-yl] acetate
CID 11040717
(3,4,5-triacetyloxy-6-hydroxyhexan-2-yl) acetate
CID 89196523
[(2S,3R,4R)-3,4-diacetyloxy-7-[(2S)-6-oxo-2,3-dihydropyran-2-yl]hept-6-en-2-yl] acetate
CID 162971676
[(E)-6-methylhept-3-en-2-yl] acetate
CID 135085622
[(Z,2S,3S,4S,5S)-3,4,5-triacetyloxy-8-hydroxyoct-6-en-2-yl] acetate
CID 25259225
[(E,2R,5R)-5-acetyloxyhex-3-en-2-yl] acetate
CID 166437845
[(2R,3S,4R)-2,3,4,6-tetraacetyloxynon-8-enyl] acetate
CID 15690705
(5E)-nona-1,5-dien-4-ol
CID 10931514
(4R,5E,8R)-undeca-1,5-diene-4,8-diol
CID 101231224

Frequently Asked Questions

What is the IUPAC name of [(2R,3R,4R,6E,8R)-3,4-diacetyloxy-8-hydroxyundeca-6,10-dien-2-yl] acetate?
The IUPAC name of [(2R,3R,4R,6E,8R)-3,4-diacetyloxy-8-hydroxyundeca-6,10-dien-2-yl] acetate (CID 71573610) is [(2R,3R,4R,6E,8R)-3,4-diacetyloxy-8-hydroxyundeca-6,10-dien-2-yl] acetate.
What is the SMILES notation for [(2R,3R,4R,6E,8R)-3,4-diacetyloxy-8-hydroxyundeca-6,10-dien-2-yl] acetate?
The canonical SMILES for [(2R,3R,4R,6E,8R)-3,4-diacetyloxy-8-hydroxyundeca-6,10-dien-2-yl] acetate is C=CC[C@@H](O)/C=C/C[C@@H](OC(C)=O)[C@H](OC(C)=O)[C@@H](C)OC(C)=O.
What is the InChIKey of [(2R,3R,4R,6E,8R)-3,4-diacetyloxy-8-hydroxyundeca-6,10-dien-2-yl] acetate?
The InChIKey is VOKCQJXNYLFTAV-RQFCIRASSA-N. The full InChI is InChI=1S/C17H26O7/c1-6-8-15(21)9-7-10-16(23-13(4)19)17(24-14(5)20)11(2)22-12(3)18/h6-7,9,11,15-17,21H,1,8,10H2,2-5H3/b9-7+/t11-,15-,16-,17-/m1/s1.
What are the key properties of [(2R,3R,4R,6E,8R)-3,4-diacetyloxy-8-hydroxyundeca-6,10-dien-2-yl] acetate?
[(2R,3R,4R,6E,8R)-3,4-diacetyloxy-8-hydroxyundeca-6,10-dien-2-yl] acetate has a molecular weight of 342.39 g/mol, XLogP of 1.68, 10 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for [(2R,3R,4R,6E,8R)-3,4-diacetyloxy-8-hydroxyundeca-6,10-dien-2-yl] acetate is sourced from PubChem (CID 71573610), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).