(2S,3R,4R,5R)-3-ethenyl-5-(2-methylpropyl)-2-propan-2-yloxolane-3,4-diol

C13H24O3 — CID 176612768

IUPAC(2S,3R,4R,5R)-3-ethenyl-5-(2-methylpropyl)-2-propan-2-yloxolane-3,4-diol
SMILESC=C[C@@]1(O)[C@H](O)[C@@H](CC(C)C)O[C@H]1C(C)C
InChIInChI=1S/C13H24O3/c1-6-13(15)11(14)10(7-8(2)3)16-12(13)9(4)5/h6,8-12,14-15H,1,7H2,2-5H3/t10-,11-,12+,13-/m1/s1
InChIKeyNZSMNMQBLFWUIO-FVCCEPFGSA-N
MW228.33 g/mol
LogP1.73
Rot. Bonds4

About (2S,3R,4R,5R)-3-ethenyl-5-(2-methylpropyl)-2-propan-2-yloxolane-3,4-diol

(2S,3R,4R,5R)-3-ethenyl-5-(2-methylpropyl)-2-propan-2-yloxolane-3,4-diol (PubChem CID 176612768) has the molecular formula C13H24O3 and a molecular weight of 228.33 g/mol. Its IUPAC name is (2S,3R,4R,5R)-3-ethenyl-5-(2-methylpropyl)-2-propan-2-yloxolane-3,4-diol.

Molecular Properties

Compound Name(2S,3R,4R,5R)-3-ethenyl-5-(2-methylpropyl)-2-propan-2-yloxolane-3,4-diol
PubChem CID176612768
Molecular FormulaC13H24O3
Molecular Weight228.33 g/mol
Exact Mass228.17
IUPAC Name(2S,3R,4R,5R)-3-ethenyl-5-(2-methylpropyl)-2-propan-2-yloxolane-3,4-diol
SMILESC=C[C@@]1(O)[C@H](O)[C@@H](CC(C)C)O[C@H]1C(C)C
InChIInChI=1S/C13H24O3/c1-6-13(15)11(14)10(7-8(2)3)16-12(13)9(4)5/h6,8-12,14-15H,1,7H2,2-5H3/t10-,11-,12+,13-/m1/s1
InChIKeyNZSMNMQBLFWUIO-FVCCEPFGSA-N
XLogP1.73
TPSA49.69 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500228.33
LogP ≤ 51.73
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of (2S,3R,4R,5R)-3-ethenyl-5-(2-methylpropyl)-2-propan-2-yloxolane-3,4-diol?
The IUPAC name of (2S,3R,4R,5R)-3-ethenyl-5-(2-methylpropyl)-2-propan-2-yloxolane-3,4-diol (CID 176612768) is (2S,3R,4R,5R)-3-ethenyl-5-(2-methylpropyl)-2-propan-2-yloxolane-3,4-diol.
What is the SMILES notation for (2S,3R,4R,5R)-3-ethenyl-5-(2-methylpropyl)-2-propan-2-yloxolane-3,4-diol?
The canonical SMILES for (2S,3R,4R,5R)-3-ethenyl-5-(2-methylpropyl)-2-propan-2-yloxolane-3,4-diol is C=C[C@@]1(O)[C@H](O)[C@@H](CC(C)C)O[C@H]1C(C)C.
What is the InChIKey of (2S,3R,4R,5R)-3-ethenyl-5-(2-methylpropyl)-2-propan-2-yloxolane-3,4-diol?
The InChIKey is NZSMNMQBLFWUIO-FVCCEPFGSA-N. The full InChI is InChI=1S/C13H24O3/c1-6-13(15)11(14)10(7-8(2)3)16-12(13)9(4)5/h6,8-12,14-15H,1,7H2,2-5H3/t10-,11-,12+,13-/m1/s1.
What are the key properties of (2S,3R,4R,5R)-3-ethenyl-5-(2-methylpropyl)-2-propan-2-yloxolane-3,4-diol?
(2S,3R,4R,5R)-3-ethenyl-5-(2-methylpropyl)-2-propan-2-yloxolane-3,4-diol has a molecular weight of 228.33 g/mol, XLogP of 1.73, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2S,3R,4R,5R)-3-ethenyl-5-(2-methylpropyl)-2-propan-2-yloxolane-3,4-diol is sourced from PubChem (CID 176612768), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).