3-ethenoxypenta-1,4-diene

C7H10O — CID 14223809

IUPAC3-ethenoxypenta-1,4-diene
SMILESC=COC(C=C)C=C
InChIInChI=1S/C7H10O/c1-4-7(5-2)8-6-3/h4-7H,1-3H2
InChIKeyBNFXMNDCFBGIES-UHFFFAOYSA-N
MW110.16 g/mol
LogP1.89
Rot. Bonds4

About 3-ethenoxypenta-1,4-diene

3-ethenoxypenta-1,4-diene (PubChem CID 14223809) has the molecular formula C7H10O and a molecular weight of 110.16 g/mol. Its IUPAC name is 3-ethenoxypenta-1,4-diene.

Molecular Properties

Compound Name3-ethenoxypenta-1,4-diene
PubChem CID14223809
Molecular FormulaC7H10O
Molecular Weight110.16 g/mol
Exact Mass110.07
IUPAC Name3-ethenoxypenta-1,4-diene
SMILESC=COC(C=C)C=C
InChIInChI=1S/C7H10O/c1-4-7(5-2)8-6-3/h4-7H,1-3H2
InChIKeyBNFXMNDCFBGIES-UHFFFAOYSA-N
XLogP1.89
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms8
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500110.16
LogP ≤ 51.89
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 3-ethenoxypenta-1,4-diene?
The IUPAC name of 3-ethenoxypenta-1,4-diene (CID 14223809) is 3-ethenoxypenta-1,4-diene.
What is the SMILES notation for 3-ethenoxypenta-1,4-diene?
The canonical SMILES for 3-ethenoxypenta-1,4-diene is C=COC(C=C)C=C.
What is the InChIKey of 3-ethenoxypenta-1,4-diene?
The InChIKey is BNFXMNDCFBGIES-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H10O/c1-4-7(5-2)8-6-3/h4-7H,1-3H2.
What are the key properties of 3-ethenoxypenta-1,4-diene?
3-ethenoxypenta-1,4-diene has a molecular weight of 110.16 g/mol, XLogP of 1.89, 4 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 3-ethenoxypenta-1,4-diene is sourced from PubChem (CID 14223809), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).