1,3-bis(ethenoxy)-2,2-bis(ethenoxymethyl)propane;oxirane

C15H24O5 — CID 87315894

IUPAC1,3-bis(ethenoxy)-2,2-bis(ethenoxymethyl)propane;oxirane
SMILESC1CO1.C=COCC(COC=C)(COC=C)COC=C
InChIInChI=1S/C13H20O4.C2H4O/c1-5-14-9-13(10-15-6-2,11-16-7-3)12-17-8-4;1-2-3-1/h5-8H,1-4,9-12H2;1-2H2
InChIKeyVDCVMQLEPHJYHI-UHFFFAOYSA-N
MW284.35 g/mol
LogP2.63
Rot. Bonds12

About 1,3-bis(ethenoxy)-2,2-bis(ethenoxymethyl)propane;oxirane

1,3-bis(ethenoxy)-2,2-bis(ethenoxymethyl)propane;oxirane (PubChem CID 87315894) has the molecular formula C15H24O5 and a molecular weight of 284.35 g/mol. Its IUPAC name is 1,3-bis(ethenoxy)-2,2-bis(ethenoxymethyl)propane;oxirane.

Molecular Properties

Compound Name1,3-bis(ethenoxy)-2,2-bis(ethenoxymethyl)propane;oxirane
PubChem CID87315894
Molecular FormulaC15H24O5
Molecular Weight284.35 g/mol
Exact Mass284.16
IUPAC Name1,3-bis(ethenoxy)-2,2-bis(ethenoxymethyl)propane;oxirane
SMILESC1CO1.C=COCC(COC=C)(COC=C)COC=C
InChIInChI=1S/C13H20O4.C2H4O/c1-5-14-9-13(10-15-6-2,11-16-7-3)12-17-8-4;1-2-3-1/h5-8H,1-4,9-12H2;1-2H2
InChIKeyVDCVMQLEPHJYHI-UHFFFAOYSA-N
XLogP2.63
TPSA49.45 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds12
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500284.35
LogP ≤ 52.63
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'acyclic_C=C-O', 'substructure': 'N/A'}, {'alert_name': 'Three-membered_heterocycle', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 1,3-bis(ethenoxy)-2,2-bis(ethenoxymethyl)propane;oxirane?
The IUPAC name of 1,3-bis(ethenoxy)-2,2-bis(ethenoxymethyl)propane;oxirane (CID 87315894) is 1,3-bis(ethenoxy)-2,2-bis(ethenoxymethyl)propane;oxirane.
What is the SMILES notation for 1,3-bis(ethenoxy)-2,2-bis(ethenoxymethyl)propane;oxirane?
The canonical SMILES for 1,3-bis(ethenoxy)-2,2-bis(ethenoxymethyl)propane;oxirane is C1CO1.C=COCC(COC=C)(COC=C)COC=C.
What is the InChIKey of 1,3-bis(ethenoxy)-2,2-bis(ethenoxymethyl)propane;oxirane?
The InChIKey is VDCVMQLEPHJYHI-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H20O4.C2H4O/c1-5-14-9-13(10-15-6-2,11-16-7-3)12-17-8-4;1-2-3-1/h5-8H,1-4,9-12H2;1-2H2.
What are the key properties of 1,3-bis(ethenoxy)-2,2-bis(ethenoxymethyl)propane;oxirane?
1,3-bis(ethenoxy)-2,2-bis(ethenoxymethyl)propane;oxirane has a molecular weight of 284.35 g/mol, XLogP of 2.63, 12 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1,3-bis(ethenoxy)-2,2-bis(ethenoxymethyl)propane;oxirane is sourced from PubChem (CID 87315894), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).