3,6-bis(1-ethoxyethyl)octa-1,2,6,7-tetraene

C16H26O2 — CID 10610711

IUPAC3,6-bis(1-ethoxyethyl)octa-1,2,6,7-tetraene
SMILESC=C=C(CCC(=C=C)C(C)OCC)C(C)OCC
InChIInChI=1S/C16H26O2/c1-7-15(13(5)17-9-3)11-12-16(8-2)14(6)18-10-4/h13-14H,1-2,9-12H2,3-6H3
InChIKeyAUDOMXVGYANHBA-UHFFFAOYSA-N
MW250.38 g/mol
LogP4.04
Rot. Bonds9

About 3,6-bis(1-ethoxyethyl)octa-1,2,6,7-tetraene

3,6-bis(1-ethoxyethyl)octa-1,2,6,7-tetraene (PubChem CID 10610711) has the molecular formula C16H26O2 and a molecular weight of 250.38 g/mol. Its IUPAC name is 3,6-bis(1-ethoxyethyl)octa-1,2,6,7-tetraene.

Molecular Properties

Compound Name3,6-bis(1-ethoxyethyl)octa-1,2,6,7-tetraene
PubChem CID10610711
Molecular FormulaC16H26O2
Molecular Weight250.38 g/mol
Exact Mass250.19
IUPAC Name3,6-bis(1-ethoxyethyl)octa-1,2,6,7-tetraene
SMILESC=C=C(CCC(=C=C)C(C)OCC)C(C)OCC
InChIInChI=1S/C16H26O2/c1-7-15(13(5)17-9-3)11-12-16(8-2)14(6)18-10-4/h13-14H,1-2,9-12H2,3-6H3
InChIKeyAUDOMXVGYANHBA-UHFFFAOYSA-N
XLogP4.04
TPSA18.46 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds9
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500250.38
LogP ≤ 54.04
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 3,6-bis(1-ethoxyethyl)octa-1,2,6,7-tetraene?
The IUPAC name of 3,6-bis(1-ethoxyethyl)octa-1,2,6,7-tetraene (CID 10610711) is 3,6-bis(1-ethoxyethyl)octa-1,2,6,7-tetraene.
What is the SMILES notation for 3,6-bis(1-ethoxyethyl)octa-1,2,6,7-tetraene?
The canonical SMILES for 3,6-bis(1-ethoxyethyl)octa-1,2,6,7-tetraene is C=C=C(CCC(=C=C)C(C)OCC)C(C)OCC.
What is the InChIKey of 3,6-bis(1-ethoxyethyl)octa-1,2,6,7-tetraene?
The InChIKey is AUDOMXVGYANHBA-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H26O2/c1-7-15(13(5)17-9-3)11-12-16(8-2)14(6)18-10-4/h13-14H,1-2,9-12H2,3-6H3.
What are the key properties of 3,6-bis(1-ethoxyethyl)octa-1,2,6,7-tetraene?
3,6-bis(1-ethoxyethyl)octa-1,2,6,7-tetraene has a molecular weight of 250.38 g/mol, XLogP of 4.04, 9 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3,6-bis(1-ethoxyethyl)octa-1,2,6,7-tetraene is sourced from PubChem (CID 10610711), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).