4-ethoxy-3-methoxypenta-1,2-diene

C8H14O2 — CID 44719795

IUPAC4-ethoxy-3-methoxypenta-1,2-diene
SMILESC=C=C(OC)C(C)OCC
InChIInChI=1S/C8H14O2/c1-5-8(9-4)7(3)10-6-2/h7H,1,6H2,2-4H3
InChIKeyBPGZYIVSAAQNDL-UHFFFAOYSA-N
MW142.20 g/mol
LogP1.73
Rot. Bonds4

About 4-ethoxy-3-methoxypenta-1,2-diene

4-ethoxy-3-methoxypenta-1,2-diene (PubChem CID 44719795) has the molecular formula C8H14O2 and a molecular weight of 142.20 g/mol. Its IUPAC name is 4-ethoxy-3-methoxypenta-1,2-diene.

Molecular Properties

Compound Name4-ethoxy-3-methoxypenta-1,2-diene
PubChem CID44719795
Molecular FormulaC8H14O2
Molecular Weight142.20 g/mol
Exact Mass142.10
IUPAC Name4-ethoxy-3-methoxypenta-1,2-diene
SMILESC=C=C(OC)C(C)OCC
InChIInChI=1S/C8H14O2/c1-5-8(9-4)7(3)10-6-2/h7H,1,6H2,2-4H3
InChIKeyBPGZYIVSAAQNDL-UHFFFAOYSA-N
XLogP1.73
TPSA18.46 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500142.20
LogP ≤ 51.73
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 4-ethoxy-3-methoxypenta-1,2-diene?
The IUPAC name of 4-ethoxy-3-methoxypenta-1,2-diene (CID 44719795) is 4-ethoxy-3-methoxypenta-1,2-diene.
What is the SMILES notation for 4-ethoxy-3-methoxypenta-1,2-diene?
The canonical SMILES for 4-ethoxy-3-methoxypenta-1,2-diene is C=C=C(OC)C(C)OCC.
What is the InChIKey of 4-ethoxy-3-methoxypenta-1,2-diene?
The InChIKey is BPGZYIVSAAQNDL-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H14O2/c1-5-8(9-4)7(3)10-6-2/h7H,1,6H2,2-4H3.
What are the key properties of 4-ethoxy-3-methoxypenta-1,2-diene?
4-ethoxy-3-methoxypenta-1,2-diene has a molecular weight of 142.20 g/mol, XLogP of 1.73, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-ethoxy-3-methoxypenta-1,2-diene is sourced from PubChem (CID 44719795), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).