[(2R,3R,5R)-2,5-bis(ethenyl)oxolan-3-yl] prop-2-ynoate

C11H12O3 — CID 25232677

IUPAC[(2R,3R,5R)-2,5-bis(ethenyl)oxolan-3-yl] prop-2-ynoate
SMILESC#CC(=O)O[C@@H]1C[C@H](C=C)O[C@@H]1C=C
InChIInChI=1S/C11H12O3/c1-4-8-7-10(9(5-2)13-8)14-11(12)6-3/h3-5,8-10H,1-2,7H2/t8-,9+,10+/m0/s1
InChIKeyKPEQTKRFUNIGOJ-IVZWLZJFSA-N
MW192.21 g/mol
LogP1.06
Rot. Bonds3

About [(2R,3R,5R)-2,5-bis(ethenyl)oxolan-3-yl] prop-2-ynoate

[(2R,3R,5R)-2,5-bis(ethenyl)oxolan-3-yl] prop-2-ynoate (PubChem CID 25232677) has the molecular formula C11H12O3 and a molecular weight of 192.21 g/mol. Its IUPAC name is [(2R,3R,5R)-2,5-bis(ethenyl)oxolan-3-yl] prop-2-ynoate.

Molecular Properties

Compound Name[(2R,3R,5R)-2,5-bis(ethenyl)oxolan-3-yl] prop-2-ynoate
PubChem CID25232677
Molecular FormulaC11H12O3
Molecular Weight192.21 g/mol
Exact Mass192.08
IUPAC Name[(2R,3R,5R)-2,5-bis(ethenyl)oxolan-3-yl] prop-2-ynoate
SMILESC#CC(=O)O[C@@H]1C[C@H](C=C)O[C@@H]1C=C
InChIInChI=1S/C11H12O3/c1-4-8-7-10(9(5-2)13-8)14-11(12)6-3/h3-5,8-10H,1-2,7H2/t8-,9+,10+/m0/s1
InChIKeyKPEQTKRFUNIGOJ-IVZWLZJFSA-N
XLogP1.06
TPSA35.53 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500192.21
LogP ≤ 51.06
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'isolated_alkene', 'substructure': 'N/A'}, {'alert_name': 'Michael_acceptor_5', '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,5R)-2,5-bis(ethenyl)oxolan-3-yl] prop-2-ynoate?
The IUPAC name of [(2R,3R,5R)-2,5-bis(ethenyl)oxolan-3-yl] prop-2-ynoate (CID 25232677) is [(2R,3R,5R)-2,5-bis(ethenyl)oxolan-3-yl] prop-2-ynoate.
What is the SMILES notation for [(2R,3R,5R)-2,5-bis(ethenyl)oxolan-3-yl] prop-2-ynoate?
The canonical SMILES for [(2R,3R,5R)-2,5-bis(ethenyl)oxolan-3-yl] prop-2-ynoate is C#CC(=O)O[C@@H]1C[C@H](C=C)O[C@@H]1C=C.
What is the InChIKey of [(2R,3R,5R)-2,5-bis(ethenyl)oxolan-3-yl] prop-2-ynoate?
The InChIKey is KPEQTKRFUNIGOJ-IVZWLZJFSA-N. The full InChI is InChI=1S/C11H12O3/c1-4-8-7-10(9(5-2)13-8)14-11(12)6-3/h3-5,8-10H,1-2,7H2/t8-,9+,10+/m0/s1.
What are the key properties of [(2R,3R,5R)-2,5-bis(ethenyl)oxolan-3-yl] prop-2-ynoate?
[(2R,3R,5R)-2,5-bis(ethenyl)oxolan-3-yl] prop-2-ynoate has a molecular weight of 192.21 g/mol, XLogP of 1.06, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [(2R,3R,5R)-2,5-bis(ethenyl)oxolan-3-yl] prop-2-ynoate is sourced from PubChem (CID 25232677), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).