1-ethenoxy-2,2-bis(ethenoxymethyl)butane;oxirane

C14H24O4 — CID 87315895

IUPAC1-ethenoxy-2,2-bis(ethenoxymethyl)butane;oxirane
SMILESC1CO1.C=COCC(CC)(COC=C)COC=C
InChIInChI=1S/C12H20O3.C2H4O/c1-5-12(9-13-6-2,10-14-7-3)11-15-8-4;1-2-3-1/h6-8H,2-5,9-11H2,1H3;1-2H2
InChIKeyISRKHVHWSUTIDB-UHFFFAOYSA-N
MW256.34 g/mol
LogP2.88
Rot. Bonds10

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

1-ethenoxy-2,2-bis(ethenoxymethyl)butane;oxirane (PubChem CID 87315895) has the molecular formula C14H24O4 and a molecular weight of 256.34 g/mol. Its IUPAC name is 1-ethenoxy-2,2-bis(ethenoxymethyl)butane;oxirane.

Molecular Properties

Compound Name1-ethenoxy-2,2-bis(ethenoxymethyl)butane;oxirane
PubChem CID87315895
Molecular FormulaC14H24O4
Molecular Weight256.34 g/mol
Exact Mass256.17
IUPAC Name1-ethenoxy-2,2-bis(ethenoxymethyl)butane;oxirane
SMILESC1CO1.C=COCC(CC)(COC=C)COC=C
InChIInChI=1S/C12H20O3.C2H4O/c1-5-12(9-13-6-2,10-14-7-3)11-15-8-4;1-2-3-1/h6-8H,2-5,9-11H2,1H3;1-2H2
InChIKeyISRKHVHWSUTIDB-UHFFFAOYSA-N
XLogP2.88
TPSA40.22 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds10
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500256.34
LogP ≤ 52.88
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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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Related Compounds

CID 21867830
CID 21867830
CID 20396579
CID 20396579
CID 23556497
CID 23556497
CID 87315894
CID 87315894
CID 87770238
CID 87770238
CID 118406224
CID 118406224
CID 160283005
CID 160283005
CID 161741551
CID 161741551

Frequently Asked Questions

What is the IUPAC name of 1-ethenoxy-2,2-bis(ethenoxymethyl)butane;oxirane?
The IUPAC name of 1-ethenoxy-2,2-bis(ethenoxymethyl)butane;oxirane (CID 87315895) is 1-ethenoxy-2,2-bis(ethenoxymethyl)butane;oxirane.
What is the SMILES notation for 1-ethenoxy-2,2-bis(ethenoxymethyl)butane;oxirane?
The canonical SMILES for 1-ethenoxy-2,2-bis(ethenoxymethyl)butane;oxirane is C1CO1.C=COCC(CC)(COC=C)COC=C.
What is the InChIKey of 1-ethenoxy-2,2-bis(ethenoxymethyl)butane;oxirane?
The InChIKey is ISRKHVHWSUTIDB-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H20O3.C2H4O/c1-5-12(9-13-6-2,10-14-7-3)11-15-8-4;1-2-3-1/h6-8H,2-5,9-11H2,1H3;1-2H2.
What are the key properties of 1-ethenoxy-2,2-bis(ethenoxymethyl)butane;oxirane?
1-ethenoxy-2,2-bis(ethenoxymethyl)butane;oxirane has a molecular weight of 256.34 g/mol, XLogP of 2.88, 10 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-ethenoxy-2,2-bis(ethenoxymethyl)butane;oxirane is sourced from PubChem (CID 87315895), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).