(2S,3R)-2-(2-undecyl-1,3-dioxolan-4-yl)oxolane-3,4-diol

C18H34O5 — CID 140821232

IUPAC(2S,3R)-2-(2-undecyl-1,3-dioxolan-4-yl)oxolane-3,4-diol
SMILESCCCCCCCCCCCC1OCC([C@H]2OCC(O)[C@H]2O)O1
InChIInChI=1S/C18H34O5/c1-2-3-4-5-6-7-8-9-10-11-16-21-13-15(23-16)18-17(20)14(19)12-22-18/h14-20H,2-13H2,1H3/t14?,15?,16?,17-,18-/m1/s1
InChIKeySKNIREHZKUCNLG-QGPAGSFOSA-N
MW330.47 g/mol
LogP2.77
Rot. Bonds11

About (2S,3R)-2-(2-undecyl-1,3-dioxolan-4-yl)oxolane-3,4-diol

(2S,3R)-2-(2-undecyl-1,3-dioxolan-4-yl)oxolane-3,4-diol (PubChem CID 140821232) has the molecular formula C18H34O5 and a molecular weight of 330.47 g/mol. Its IUPAC name is (2S,3R)-2-(2-undecyl-1,3-dioxolan-4-yl)oxolane-3,4-diol.

Molecular Properties

Compound Name(2S,3R)-2-(2-undecyl-1,3-dioxolan-4-yl)oxolane-3,4-diol
PubChem CID140821232
Molecular FormulaC18H34O5
Molecular Weight330.47 g/mol
Exact Mass330.24
IUPAC Name(2S,3R)-2-(2-undecyl-1,3-dioxolan-4-yl)oxolane-3,4-diol
SMILESCCCCCCCCCCCC1OCC([C@H]2OCC(O)[C@H]2O)O1
InChIInChI=1S/C18H34O5/c1-2-3-4-5-6-7-8-9-10-11-16-21-13-15(23-16)18-17(20)14(19)12-22-18/h14-20H,2-13H2,1H3/t14?,15?,16?,17-,18-/m1/s1
InChIKeySKNIREHZKUCNLG-QGPAGSFOSA-N
XLogP2.77
TPSA68.15 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds11
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500330.47
LogP ≤ 52.77
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

2-octyl-4,4a,6,7,8,8a-hexahydropyrano[3,2-d][1,3]dioxine-6,7,8-triol
CID 553351
(6R,8R,8aS)-6-methoxy-2-undecyl-4,4a,6,7,8,8a-hexahydropyrano[3,2-d][1,3]dioxine-7,8-diol
CID 140821218
(2S,4S)-2-hexyl-4-methyl-1,3-dioxolane
CID 36690472
(2R,4S)-4-methyl-2-nonyl-1,3-dioxolane
CID 76959551
(2S,4R)-4-methyl-2-nonyl-1,3-dioxolane
CID 76959550
(2R,4R)-4-methyl-2-octyl-1,3-dioxolane
CID 76956297
(2S,4R)-2-[(4R)-2-methyl-1,3-dioxolan-4-yl]oxolane-3,4-diol
CID 129085380
[(2S)-3-[(2R,3R,4R,5R)-3,4-dihydroxy-5-[(2R,4R)-2-tridecyl-1,3-dioxolan-4-yl]oxolan-2-yl]oxy-2-hydroxypropyl] dodecanoate
CID 177377165
1-(2-undecyl-1,3-dioxolan-4-yl)ethane-1,2-diol
CID 13379201
2-pentadecyl-4-propan-2-yl-1,3-dioxolane
CID 575374
(2-pentadecyl-1,3-dioxolan-4-yl)methoxymethanol
CID 123535578
(6S,8aS)-6-ethyl-2-propyl-4,4a,6,7,8,8a-hexahydropyrano[3,2-d][1,3]dioxine-7,8-diol
CID 135040662

Frequently Asked Questions

What is the IUPAC name of (2S,3R)-2-(2-undecyl-1,3-dioxolan-4-yl)oxolane-3,4-diol?
The IUPAC name of (2S,3R)-2-(2-undecyl-1,3-dioxolan-4-yl)oxolane-3,4-diol (CID 140821232) is (2S,3R)-2-(2-undecyl-1,3-dioxolan-4-yl)oxolane-3,4-diol.
What is the SMILES notation for (2S,3R)-2-(2-undecyl-1,3-dioxolan-4-yl)oxolane-3,4-diol?
The canonical SMILES for (2S,3R)-2-(2-undecyl-1,3-dioxolan-4-yl)oxolane-3,4-diol is CCCCCCCCCCCC1OCC([C@H]2OCC(O)[C@H]2O)O1.
What is the InChIKey of (2S,3R)-2-(2-undecyl-1,3-dioxolan-4-yl)oxolane-3,4-diol?
The InChIKey is SKNIREHZKUCNLG-QGPAGSFOSA-N. The full InChI is InChI=1S/C18H34O5/c1-2-3-4-5-6-7-8-9-10-11-16-21-13-15(23-16)18-17(20)14(19)12-22-18/h14-20H,2-13H2,1H3/t14?,15?,16?,17-,18-/m1/s1.
What are the key properties of (2S,3R)-2-(2-undecyl-1,3-dioxolan-4-yl)oxolane-3,4-diol?
(2S,3R)-2-(2-undecyl-1,3-dioxolan-4-yl)oxolane-3,4-diol has a molecular weight of 330.47 g/mol, XLogP of 2.77, 11 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (2S,3R)-2-(2-undecyl-1,3-dioxolan-4-yl)oxolane-3,4-diol is sourced from PubChem (CID 140821232), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).