4-(2-ethoxyethoxy)-3-[1-(2-ethoxyethoxy)but-3-en-2-yloxy]but-1-ene

C16H30O5 — CID 57034169

IUPAC4-(2-ethoxyethoxy)-3-[1-(2-ethoxyethoxy)but-3-en-2-yloxy]but-1-ene
SMILESC=CC(COCCOCC)OC(C=C)COCCOCC
InChIInChI=1S/C16H30O5/c1-5-15(13-19-11-9-17-7-3)21-16(6-2)14-20-12-10-18-8-4/h5-6,15-16H,1-2,7-14H2,3-4H3
InChIKeyVOPGIKDSJYAKJZ-UHFFFAOYSA-N
MW302.41 g/mol
LogP2.22
Rot. Bonds16

About 4-(2-ethoxyethoxy)-3-[1-(2-ethoxyethoxy)but-3-en-2-yloxy]but-1-ene

4-(2-ethoxyethoxy)-3-[1-(2-ethoxyethoxy)but-3-en-2-yloxy]but-1-ene (PubChem CID 57034169) has the molecular formula C16H30O5 and a molecular weight of 302.41 g/mol. Its IUPAC name is 4-(2-ethoxyethoxy)-3-[1-(2-ethoxyethoxy)but-3-en-2-yloxy]but-1-ene.

Molecular Properties

Compound Name4-(2-ethoxyethoxy)-3-[1-(2-ethoxyethoxy)but-3-en-2-yloxy]but-1-ene
PubChem CID57034169
Molecular FormulaC16H30O5
Molecular Weight302.41 g/mol
Exact Mass302.21
IUPAC Name4-(2-ethoxyethoxy)-3-[1-(2-ethoxyethoxy)but-3-en-2-yloxy]but-1-ene
SMILESC=CC(COCCOCC)OC(C=C)COCCOCC
InChIInChI=1S/C16H30O5/c1-5-15(13-19-11-9-17-7-3)21-16(6-2)14-20-12-10-18-8-4/h5-6,15-16H,1-2,7-14H2,3-4H3
InChIKeyVOPGIKDSJYAKJZ-UHFFFAOYSA-N
XLogP2.22
TPSA46.15 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds16
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500302.41
LogP ≤ 52.22
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 4-(2-ethoxyethoxy)-3-[1-(2-ethoxyethoxy)but-3-en-2-yloxy]but-1-ene?
The IUPAC name of 4-(2-ethoxyethoxy)-3-[1-(2-ethoxyethoxy)but-3-en-2-yloxy]but-1-ene (CID 57034169) is 4-(2-ethoxyethoxy)-3-[1-(2-ethoxyethoxy)but-3-en-2-yloxy]but-1-ene.
What is the SMILES notation for 4-(2-ethoxyethoxy)-3-[1-(2-ethoxyethoxy)but-3-en-2-yloxy]but-1-ene?
The canonical SMILES for 4-(2-ethoxyethoxy)-3-[1-(2-ethoxyethoxy)but-3-en-2-yloxy]but-1-ene is C=CC(COCCOCC)OC(C=C)COCCOCC.
What is the InChIKey of 4-(2-ethoxyethoxy)-3-[1-(2-ethoxyethoxy)but-3-en-2-yloxy]but-1-ene?
The InChIKey is VOPGIKDSJYAKJZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H30O5/c1-5-15(13-19-11-9-17-7-3)21-16(6-2)14-20-12-10-18-8-4/h5-6,15-16H,1-2,7-14H2,3-4H3.
What are the key properties of 4-(2-ethoxyethoxy)-3-[1-(2-ethoxyethoxy)but-3-en-2-yloxy]but-1-ene?
4-(2-ethoxyethoxy)-3-[1-(2-ethoxyethoxy)but-3-en-2-yloxy]but-1-ene has a molecular weight of 302.41 g/mol, XLogP of 2.22, 16 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(2-ethoxyethoxy)-3-[1-(2-ethoxyethoxy)but-3-en-2-yloxy]but-1-ene is sourced from PubChem (CID 57034169), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).