(2R,3R,4R)-2-[(2R)-butan-2-yl]-2-ethenyl-3-ethynyloxolane-3,4-diol

C12H18O3 — CID 134485240

IUPAC(2R,3R,4R)-2-[(2R)-butan-2-yl]-2-ethenyl-3-ethynyloxolane-3,4-diol
SMILESC#C[C@@]1(O)[C@H](O)CO[C@]1(C=C)[C@H](C)CC
InChIInChI=1S/C12H18O3/c1-5-9(4)12(7-3)11(14,6-2)10(13)8-15-12/h2,7,9-10,13-14H,3,5,8H2,1,4H3/t9-,10-,11-,12-/m1/s1
InChIKeyNSYAKGJGAUTUSE-DDHJBXDOSA-N
MW210.27 g/mol
LogP0.71
Rot. Bonds3

About (2R,3R,4R)-2-[(2R)-butan-2-yl]-2-ethenyl-3-ethynyloxolane-3,4-diol

(2R,3R,4R)-2-[(2R)-butan-2-yl]-2-ethenyl-3-ethynyloxolane-3,4-diol (PubChem CID 134485240) has the molecular formula C12H18O3 and a molecular weight of 210.27 g/mol. Its IUPAC name is (2R,3R,4R)-2-[(2R)-butan-2-yl]-2-ethenyl-3-ethynyloxolane-3,4-diol.

Molecular Properties

Compound Name(2R,3R,4R)-2-[(2R)-butan-2-yl]-2-ethenyl-3-ethynyloxolane-3,4-diol
PubChem CID134485240
Molecular FormulaC12H18O3
Molecular Weight210.27 g/mol
Exact Mass210.13
IUPAC Name(2R,3R,4R)-2-[(2R)-butan-2-yl]-2-ethenyl-3-ethynyloxolane-3,4-diol
SMILESC#C[C@@]1(O)[C@H](O)CO[C@]1(C=C)[C@H](C)CC
InChIInChI=1S/C12H18O3/c1-5-9(4)12(7-3)11(14,6-2)10(13)8-15-12/h2,7,9-10,13-14H,3,5,8H2,1,4H3/t9-,10-,11-,12-/m1/s1
InChIKeyNSYAKGJGAUTUSE-DDHJBXDOSA-N
XLogP0.71
TPSA49.69 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500210.27
LogP ≤ 50.71
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of (2R,3R,4R)-2-[(2R)-butan-2-yl]-2-ethenyl-3-ethynyloxolane-3,4-diol?
The IUPAC name of (2R,3R,4R)-2-[(2R)-butan-2-yl]-2-ethenyl-3-ethynyloxolane-3,4-diol (CID 134485240) is (2R,3R,4R)-2-[(2R)-butan-2-yl]-2-ethenyl-3-ethynyloxolane-3,4-diol.
What is the SMILES notation for (2R,3R,4R)-2-[(2R)-butan-2-yl]-2-ethenyl-3-ethynyloxolane-3,4-diol?
The canonical SMILES for (2R,3R,4R)-2-[(2R)-butan-2-yl]-2-ethenyl-3-ethynyloxolane-3,4-diol is C#C[C@@]1(O)[C@H](O)CO[C@]1(C=C)[C@H](C)CC.
What is the InChIKey of (2R,3R,4R)-2-[(2R)-butan-2-yl]-2-ethenyl-3-ethynyloxolane-3,4-diol?
The InChIKey is NSYAKGJGAUTUSE-DDHJBXDOSA-N. The full InChI is InChI=1S/C12H18O3/c1-5-9(4)12(7-3)11(14,6-2)10(13)8-15-12/h2,7,9-10,13-14H,3,5,8H2,1,4H3/t9-,10-,11-,12-/m1/s1.
What are the key properties of (2R,3R,4R)-2-[(2R)-butan-2-yl]-2-ethenyl-3-ethynyloxolane-3,4-diol?
(2R,3R,4R)-2-[(2R)-butan-2-yl]-2-ethenyl-3-ethynyloxolane-3,4-diol has a molecular weight of 210.27 g/mol, XLogP of 0.71, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2R,3R,4R)-2-[(2R)-butan-2-yl]-2-ethenyl-3-ethynyloxolane-3,4-diol is sourced from PubChem (CID 134485240), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).