[(2R)-2-[(2R,4S)-3,4-dihydroxyoxolan-2-yl]-2-hydroxyethyl] (Z)-non-5-enoate

C15H26O6 — CID 59445977

IUPAC[(2R)-2-[(2R,4S)-3,4-dihydroxyoxolan-2-yl]-2-hydroxyethyl] (Z)-non-5-enoate
SMILESCCC/C=C\CCCC(=O)OC[C@@H](O)[C@H]1OC[C@H](O)C1O
InChIInChI=1S/C15H26O6/c1-2-3-4-5-6-7-8-13(18)20-10-12(17)15-14(19)11(16)9-21-15/h4-5,11-12,14-17,19H,2-3,6-10H2,1H3/b5-4-/t11-,12+,14?,15+/m0/s1
InChIKeyINMDAVZQTVAYRF-NQHZDWNTSA-N
MW302.37 g/mol
LogP0.54
Rot. Bonds9

About [(2R)-2-[(2R,4S)-3,4-dihydroxyoxolan-2-yl]-2-hydroxyethyl] (Z)-non-5-enoate

[(2R)-2-[(2R,4S)-3,4-dihydroxyoxolan-2-yl]-2-hydroxyethyl] (Z)-non-5-enoate (PubChem CID 59445977) has the molecular formula C15H26O6 and a molecular weight of 302.37 g/mol. Its IUPAC name is [(2R)-2-[(2R,4S)-3,4-dihydroxyoxolan-2-yl]-2-hydroxyethyl] (Z)-non-5-enoate.

Molecular Properties

Compound Name[(2R)-2-[(2R,4S)-3,4-dihydroxyoxolan-2-yl]-2-hydroxyethyl] (Z)-non-5-enoate
PubChem CID59445977
Molecular FormulaC15H26O6
Molecular Weight302.37 g/mol
Exact Mass302.17
IUPAC Name[(2R)-2-[(2R,4S)-3,4-dihydroxyoxolan-2-yl]-2-hydroxyethyl] (Z)-non-5-enoate
SMILESCCC/C=C\CCCC(=O)OC[C@@H](O)[C@H]1OC[C@H](O)C1O
InChIInChI=1S/C15H26O6/c1-2-3-4-5-6-7-8-13(18)20-10-12(17)15-14(19)11(16)9-21-15/h4-5,11-12,14-17,19H,2-3,6-10H2,1H3/b5-4-/t11-,12+,14?,15+/m0/s1
InChIKeyINMDAVZQTVAYRF-NQHZDWNTSA-N
XLogP0.54
TPSA96.22 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds9
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500302.37
LogP ≤ 50.54
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of [(2R)-2-[(2R,4S)-3,4-dihydroxyoxolan-2-yl]-2-hydroxyethyl] (Z)-non-5-enoate?
The IUPAC name of [(2R)-2-[(2R,4S)-3,4-dihydroxyoxolan-2-yl]-2-hydroxyethyl] (Z)-non-5-enoate (CID 59445977) is [(2R)-2-[(2R,4S)-3,4-dihydroxyoxolan-2-yl]-2-hydroxyethyl] (Z)-non-5-enoate.
What is the SMILES notation for [(2R)-2-[(2R,4S)-3,4-dihydroxyoxolan-2-yl]-2-hydroxyethyl] (Z)-non-5-enoate?
The canonical SMILES for [(2R)-2-[(2R,4S)-3,4-dihydroxyoxolan-2-yl]-2-hydroxyethyl] (Z)-non-5-enoate is CCC/C=C\CCCC(=O)OC[C@@H](O)[C@H]1OC[C@H](O)C1O.
What is the InChIKey of [(2R)-2-[(2R,4S)-3,4-dihydroxyoxolan-2-yl]-2-hydroxyethyl] (Z)-non-5-enoate?
The InChIKey is INMDAVZQTVAYRF-NQHZDWNTSA-N. The full InChI is InChI=1S/C15H26O6/c1-2-3-4-5-6-7-8-13(18)20-10-12(17)15-14(19)11(16)9-21-15/h4-5,11-12,14-17,19H,2-3,6-10H2,1H3/b5-4-/t11-,12+,14?,15+/m0/s1.
What are the key properties of [(2R)-2-[(2R,4S)-3,4-dihydroxyoxolan-2-yl]-2-hydroxyethyl] (Z)-non-5-enoate?
[(2R)-2-[(2R,4S)-3,4-dihydroxyoxolan-2-yl]-2-hydroxyethyl] (Z)-non-5-enoate has a molecular weight of 302.37 g/mol, XLogP of 0.54, 9 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for [(2R)-2-[(2R,4S)-3,4-dihydroxyoxolan-2-yl]-2-hydroxyethyl] (Z)-non-5-enoate is sourced from PubChem (CID 59445977), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).