(2R,3R)-2-[[(2S,3R)-3-ethenyloxiran-2-yl]methyl]oxan-3-ol

C10H16O3 — CID 134882822

IUPAC(2R,3R)-2-[[(2S,3R)-3-ethenyloxiran-2-yl]methyl]oxan-3-ol
SMILESC=C[C@H]1O[C@H]1C[C@H]1OCCC[C@H]1O
InChIInChI=1S/C10H16O3/c1-2-8-10(13-8)6-9-7(11)4-3-5-12-9/h2,7-11H,1,3-6H2/t7-,8-,9-,10+/m1/s1
InChIKeyPBDABQWKWRBRNY-KYXWUPHJSA-N
MW184.23 g/mol
LogP0.87
Rot. Bonds3

About (2R,3R)-2-[[(2S,3R)-3-ethenyloxiran-2-yl]methyl]oxan-3-ol

(2R,3R)-2-[[(2S,3R)-3-ethenyloxiran-2-yl]methyl]oxan-3-ol (PubChem CID 134882822) has the molecular formula C10H16O3 and a molecular weight of 184.23 g/mol. Its IUPAC name is (2R,3R)-2-[[(2S,3R)-3-ethenyloxiran-2-yl]methyl]oxan-3-ol.

Molecular Properties

Compound Name(2R,3R)-2-[[(2S,3R)-3-ethenyloxiran-2-yl]methyl]oxan-3-ol
PubChem CID134882822
Molecular FormulaC10H16O3
Molecular Weight184.23 g/mol
Exact Mass184.11
IUPAC Name(2R,3R)-2-[[(2S,3R)-3-ethenyloxiran-2-yl]methyl]oxan-3-ol
SMILESC=C[C@H]1O[C@H]1C[C@H]1OCCC[C@H]1O
InChIInChI=1S/C10H16O3/c1-2-8-10(13-8)6-9-7(11)4-3-5-12-9/h2,7-11H,1,3-6H2/t7-,8-,9-,10+/m1/s1
InChIKeyPBDABQWKWRBRNY-KYXWUPHJSA-N
XLogP0.87
TPSA41.99 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500184.23
LogP ≤ 50.87
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of (2R,3R)-2-[[(2S,3R)-3-ethenyloxiran-2-yl]methyl]oxan-3-ol?
The IUPAC name of (2R,3R)-2-[[(2S,3R)-3-ethenyloxiran-2-yl]methyl]oxan-3-ol (CID 134882822) is (2R,3R)-2-[[(2S,3R)-3-ethenyloxiran-2-yl]methyl]oxan-3-ol.
What is the SMILES notation for (2R,3R)-2-[[(2S,3R)-3-ethenyloxiran-2-yl]methyl]oxan-3-ol?
The canonical SMILES for (2R,3R)-2-[[(2S,3R)-3-ethenyloxiran-2-yl]methyl]oxan-3-ol is C=C[C@H]1O[C@H]1C[C@H]1OCCC[C@H]1O.
What is the InChIKey of (2R,3R)-2-[[(2S,3R)-3-ethenyloxiran-2-yl]methyl]oxan-3-ol?
The InChIKey is PBDABQWKWRBRNY-KYXWUPHJSA-N. The full InChI is InChI=1S/C10H16O3/c1-2-8-10(13-8)6-9-7(11)4-3-5-12-9/h2,7-11H,1,3-6H2/t7-,8-,9-,10+/m1/s1.
What are the key properties of (2R,3R)-2-[[(2S,3R)-3-ethenyloxiran-2-yl]methyl]oxan-3-ol?
(2R,3R)-2-[[(2S,3R)-3-ethenyloxiran-2-yl]methyl]oxan-3-ol has a molecular weight of 184.23 g/mol, XLogP of 0.87, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2R,3R)-2-[[(2S,3R)-3-ethenyloxiran-2-yl]methyl]oxan-3-ol is sourced from PubChem (CID 134882822), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).