1-ethoxy-2-(1-ethoxy-1-methoxybut-1-en-2-yl)oxy-1-methoxybut-1-ene

C14H26O5 — CID 56632440

IUPAC1-ethoxy-2-(1-ethoxy-1-methoxybut-1-en-2-yl)oxy-1-methoxybut-1-ene
SMILESCCOC(OC)=C(CC)OC(CC)=C(OC)OCC
InChIInChI=1S/C14H26O5/c1-7-11(13(15-5)17-9-3)19-12(8-2)14(16-6)18-10-4/h7-10H2,1-6H3
InChIKeySFXZWAHFCWLNLT-UHFFFAOYSA-N
MW274.36 g/mol
LogP3.53
Rot. Bonds10

About 1-ethoxy-2-(1-ethoxy-1-methoxybut-1-en-2-yl)oxy-1-methoxybut-1-ene

1-ethoxy-2-(1-ethoxy-1-methoxybut-1-en-2-yl)oxy-1-methoxybut-1-ene (PubChem CID 56632440) has the molecular formula C14H26O5 and a molecular weight of 274.36 g/mol. Its IUPAC name is 1-ethoxy-2-(1-ethoxy-1-methoxybut-1-en-2-yl)oxy-1-methoxybut-1-ene.

Molecular Properties

Compound Name1-ethoxy-2-(1-ethoxy-1-methoxybut-1-en-2-yl)oxy-1-methoxybut-1-ene
PubChem CID56632440
Molecular FormulaC14H26O5
Molecular Weight274.36 g/mol
Exact Mass274.18
IUPAC Name1-ethoxy-2-(1-ethoxy-1-methoxybut-1-en-2-yl)oxy-1-methoxybut-1-ene
SMILESCCOC(OC)=C(CC)OC(CC)=C(OC)OCC
InChIInChI=1S/C14H26O5/c1-7-11(13(15-5)17-9-3)19-12(8-2)14(16-6)18-10-4/h7-10H2,1-6H3
InChIKeySFXZWAHFCWLNLT-UHFFFAOYSA-N
XLogP3.53
TPSA46.15 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds10
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500274.36
LogP ≤ 53.53
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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 1-ethoxy-2-(1-ethoxy-1-methoxybut-1-en-2-yl)oxy-1-methoxybut-1-ene?
The IUPAC name of 1-ethoxy-2-(1-ethoxy-1-methoxybut-1-en-2-yl)oxy-1-methoxybut-1-ene (CID 56632440) is 1-ethoxy-2-(1-ethoxy-1-methoxybut-1-en-2-yl)oxy-1-methoxybut-1-ene.
What is the SMILES notation for 1-ethoxy-2-(1-ethoxy-1-methoxybut-1-en-2-yl)oxy-1-methoxybut-1-ene?
The canonical SMILES for 1-ethoxy-2-(1-ethoxy-1-methoxybut-1-en-2-yl)oxy-1-methoxybut-1-ene is CCOC(OC)=C(CC)OC(CC)=C(OC)OCC.
What is the InChIKey of 1-ethoxy-2-(1-ethoxy-1-methoxybut-1-en-2-yl)oxy-1-methoxybut-1-ene?
The InChIKey is SFXZWAHFCWLNLT-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H26O5/c1-7-11(13(15-5)17-9-3)19-12(8-2)14(16-6)18-10-4/h7-10H2,1-6H3.
What are the key properties of 1-ethoxy-2-(1-ethoxy-1-methoxybut-1-en-2-yl)oxy-1-methoxybut-1-ene?
1-ethoxy-2-(1-ethoxy-1-methoxybut-1-en-2-yl)oxy-1-methoxybut-1-ene has a molecular weight of 274.36 g/mol, XLogP of 3.53, 10 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-ethoxy-2-(1-ethoxy-1-methoxybut-1-en-2-yl)oxy-1-methoxybut-1-ene is sourced from PubChem (CID 56632440), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).