(2S,3R,5R)-2-ethenyl-5-ethoxy-3-methyloxolane

C9H16O2 — CID 101044800

IUPAC(2S,3R,5R)-2-ethenyl-5-ethoxy-3-methyloxolane
SMILESC=C[C@@H]1O[C@@H](OCC)C[C@H]1C
InChIInChI=1S/C9H16O2/c1-4-8-7(3)6-9(11-8)10-5-2/h4,7-9H,1,5-6H2,2-3H3/t7-,8+,9-/m1/s1
InChIKeyGJUKZJITWADLCU-HRDYMLBCSA-N
MW156.22 g/mol
LogP1.96
Rot. Bonds3

About (2S,3R,5R)-2-ethenyl-5-ethoxy-3-methyloxolane

(2S,3R,5R)-2-ethenyl-5-ethoxy-3-methyloxolane (PubChem CID 101044800) has the molecular formula C9H16O2 and a molecular weight of 156.22 g/mol. Its IUPAC name is (2S,3R,5R)-2-ethenyl-5-ethoxy-3-methyloxolane.

Molecular Properties

Compound Name(2S,3R,5R)-2-ethenyl-5-ethoxy-3-methyloxolane
PubChem CID101044800
Molecular FormulaC9H16O2
Molecular Weight156.22 g/mol
Exact Mass156.12
IUPAC Name(2S,3R,5R)-2-ethenyl-5-ethoxy-3-methyloxolane
SMILESC=C[C@@H]1O[C@@H](OCC)C[C@H]1C
InChIInChI=1S/C9H16O2/c1-4-8-7(3)6-9(11-8)10-5-2/h4,7-9H,1,5-6H2,2-3H3/t7-,8+,9-/m1/s1
InChIKeyGJUKZJITWADLCU-HRDYMLBCSA-N
XLogP1.96
TPSA18.46 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500156.22
LogP ≤ 51.96
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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,5R)-2-ethenyl-5-ethoxy-3-methyloxolane?
The IUPAC name of (2S,3R,5R)-2-ethenyl-5-ethoxy-3-methyloxolane (CID 101044800) is (2S,3R,5R)-2-ethenyl-5-ethoxy-3-methyloxolane.
What is the SMILES notation for (2S,3R,5R)-2-ethenyl-5-ethoxy-3-methyloxolane?
The canonical SMILES for (2S,3R,5R)-2-ethenyl-5-ethoxy-3-methyloxolane is C=C[C@@H]1O[C@@H](OCC)C[C@H]1C.
What is the InChIKey of (2S,3R,5R)-2-ethenyl-5-ethoxy-3-methyloxolane?
The InChIKey is GJUKZJITWADLCU-HRDYMLBCSA-N. The full InChI is InChI=1S/C9H16O2/c1-4-8-7(3)6-9(11-8)10-5-2/h4,7-9H,1,5-6H2,2-3H3/t7-,8+,9-/m1/s1.
What are the key properties of (2S,3R,5R)-2-ethenyl-5-ethoxy-3-methyloxolane?
(2S,3R,5R)-2-ethenyl-5-ethoxy-3-methyloxolane has a molecular weight of 156.22 g/mol, XLogP of 1.96, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (2S,3R,5R)-2-ethenyl-5-ethoxy-3-methyloxolane is sourced from PubChem (CID 101044800), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).