(4E,6Z)-4-ethenyl-3-[(3Z,5E)-5-methoxyocta-1,3,5,7-tetraen-4-yl]octa-4,6-dienal

C19H24O2 — CID 144552286

IUPAC(4E,6Z)-4-ethenyl-3-[(3Z,5E)-5-methoxyocta-1,3,5,7-tetraen-4-yl]octa-4,6-dienal
SMILESC=C/C=C(C(=C/C=C)\OC)/C(CC=O)/C(C=C)=C/C=C\C
InChIInChI=1S/C19H24O2/c1-6-10-13-16(9-4)17(14-15-20)18(11-7-2)19(21-5)12-8-3/h6-13,15,17H,2-4,14H2,1,5H3/b10-6-,16-13+,18-11-,19-12+
InChIKeyTUJFUOXHXYSFJR-PGNGCHSLSA-N
MW284.40 g/mol
LogP4.71
Rot. Bonds10

About (4E,6Z)-4-ethenyl-3-[(3Z,5E)-5-methoxyocta-1,3,5,7-tetraen-4-yl]octa-4,6-dienal

(4E,6Z)-4-ethenyl-3-[(3Z,5E)-5-methoxyocta-1,3,5,7-tetraen-4-yl]octa-4,6-dienal (PubChem CID 144552286) has the molecular formula C19H24O2 and a molecular weight of 284.40 g/mol. Its IUPAC name is (4E,6Z)-4-ethenyl-3-[(3Z,5E)-5-methoxyocta-1,3,5,7-tetraen-4-yl]octa-4,6-dienal.

Molecular Properties

Compound Name(4E,6Z)-4-ethenyl-3-[(3Z,5E)-5-methoxyocta-1,3,5,7-tetraen-4-yl]octa-4,6-dienal
PubChem CID144552286
Molecular FormulaC19H24O2
Molecular Weight284.40 g/mol
Exact Mass284.18
IUPAC Name(4E,6Z)-4-ethenyl-3-[(3Z,5E)-5-methoxyocta-1,3,5,7-tetraen-4-yl]octa-4,6-dienal
SMILESC=C/C=C(C(=C/C=C)\OC)/C(CC=O)/C(C=C)=C/C=C\C
InChIInChI=1S/C19H24O2/c1-6-10-13-16(9-4)17(14-15-20)18(11-7-2)19(21-5)12-8-3/h6-13,15,17H,2-4,14H2,1,5H3/b10-6-,16-13+,18-11-,19-12+
InChIKeyTUJFUOXHXYSFJR-PGNGCHSLSA-N
XLogP4.71
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds10
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500284.40
LogP ≤ 54.71
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of (4E,6Z)-4-ethenyl-3-[(3Z,5E)-5-methoxyocta-1,3,5,7-tetraen-4-yl]octa-4,6-dienal?
The IUPAC name of (4E,6Z)-4-ethenyl-3-[(3Z,5E)-5-methoxyocta-1,3,5,7-tetraen-4-yl]octa-4,6-dienal (CID 144552286) is (4E,6Z)-4-ethenyl-3-[(3Z,5E)-5-methoxyocta-1,3,5,7-tetraen-4-yl]octa-4,6-dienal.
What is the SMILES notation for (4E,6Z)-4-ethenyl-3-[(3Z,5E)-5-methoxyocta-1,3,5,7-tetraen-4-yl]octa-4,6-dienal?
The canonical SMILES for (4E,6Z)-4-ethenyl-3-[(3Z,5E)-5-methoxyocta-1,3,5,7-tetraen-4-yl]octa-4,6-dienal is C=C/C=C(C(=C/C=C)\OC)/C(CC=O)/C(C=C)=C/C=C\C.
What is the InChIKey of (4E,6Z)-4-ethenyl-3-[(3Z,5E)-5-methoxyocta-1,3,5,7-tetraen-4-yl]octa-4,6-dienal?
The InChIKey is TUJFUOXHXYSFJR-PGNGCHSLSA-N. The full InChI is InChI=1S/C19H24O2/c1-6-10-13-16(9-4)17(14-15-20)18(11-7-2)19(21-5)12-8-3/h6-13,15,17H,2-4,14H2,1,5H3/b10-6-,16-13+,18-11-,19-12+.
What are the key properties of (4E,6Z)-4-ethenyl-3-[(3Z,5E)-5-methoxyocta-1,3,5,7-tetraen-4-yl]octa-4,6-dienal?
(4E,6Z)-4-ethenyl-3-[(3Z,5E)-5-methoxyocta-1,3,5,7-tetraen-4-yl]octa-4,6-dienal has a molecular weight of 284.40 g/mol, XLogP of 4.71, 10 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (4E,6Z)-4-ethenyl-3-[(3Z,5E)-5-methoxyocta-1,3,5,7-tetraen-4-yl]octa-4,6-dienal is sourced from PubChem (CID 144552286), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).