(3Z,5Z)-5-ethenyl-2-prop-2-ynoxy-4-[(E)-2-prop-2-ynoxyprop-1-enyl]hepta-1,3,5-triene

C18H20O2 — CID 167266185

IUPAC(3Z,5Z)-5-ethenyl-2-prop-2-ynoxy-4-[(E)-2-prop-2-ynoxyprop-1-enyl]hepta-1,3,5-triene
SMILESC#CCOC(=C)/C=C(/C=C(\C)OCC#C)C(\C=C)=C/C
InChIInChI=1S/C18H20O2/c1-7-11-19-15(5)13-18(17(9-3)10-4)14-16(6)20-12-8-2/h1-2,9-10,13-14H,3,5,11-12H2,4,6H3/b16-14+,17-10-,18-13-
InChIKeyZAKAIUHLCUBPCY-DTXRTVNVSA-N
MW268.36 g/mol
LogP3.76
Rot. Bonds8

About (3Z,5Z)-5-ethenyl-2-prop-2-ynoxy-4-[(E)-2-prop-2-ynoxyprop-1-enyl]hepta-1,3,5-triene

(3Z,5Z)-5-ethenyl-2-prop-2-ynoxy-4-[(E)-2-prop-2-ynoxyprop-1-enyl]hepta-1,3,5-triene (PubChem CID 167266185) has the molecular formula C18H20O2 and a molecular weight of 268.36 g/mol. Its IUPAC name is (3Z,5Z)-5-ethenyl-2-prop-2-ynoxy-4-[(E)-2-prop-2-ynoxyprop-1-enyl]hepta-1,3,5-triene.

Molecular Properties

Compound Name(3Z,5Z)-5-ethenyl-2-prop-2-ynoxy-4-[(E)-2-prop-2-ynoxyprop-1-enyl]hepta-1,3,5-triene
PubChem CID167266185
Molecular FormulaC18H20O2
Molecular Weight268.36 g/mol
Exact Mass268.15
IUPAC Name(3Z,5Z)-5-ethenyl-2-prop-2-ynoxy-4-[(E)-2-prop-2-ynoxyprop-1-enyl]hepta-1,3,5-triene
SMILESC#CCOC(=C)/C=C(/C=C(\C)OCC#C)C(\C=C)=C/C
InChIInChI=1S/C18H20O2/c1-7-11-19-15(5)13-18(17(9-3)10-4)14-16(6)20-12-8-2/h1-2,9-10,13-14H,3,5,11-12H2,4,6H3/b16-14+,17-10-,18-13-
InChIKeyZAKAIUHLCUBPCY-DTXRTVNVSA-N
XLogP3.76
TPSA18.46 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds8
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500268.36
LogP ≤ 53.76
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of (3Z,5Z)-5-ethenyl-2-prop-2-ynoxy-4-[(E)-2-prop-2-ynoxyprop-1-enyl]hepta-1,3,5-triene?
The IUPAC name of (3Z,5Z)-5-ethenyl-2-prop-2-ynoxy-4-[(E)-2-prop-2-ynoxyprop-1-enyl]hepta-1,3,5-triene (CID 167266185) is (3Z,5Z)-5-ethenyl-2-prop-2-ynoxy-4-[(E)-2-prop-2-ynoxyprop-1-enyl]hepta-1,3,5-triene.
What is the SMILES notation for (3Z,5Z)-5-ethenyl-2-prop-2-ynoxy-4-[(E)-2-prop-2-ynoxyprop-1-enyl]hepta-1,3,5-triene?
The canonical SMILES for (3Z,5Z)-5-ethenyl-2-prop-2-ynoxy-4-[(E)-2-prop-2-ynoxyprop-1-enyl]hepta-1,3,5-triene is C#CCOC(=C)/C=C(/C=C(\C)OCC#C)C(\C=C)=C/C.
What is the InChIKey of (3Z,5Z)-5-ethenyl-2-prop-2-ynoxy-4-[(E)-2-prop-2-ynoxyprop-1-enyl]hepta-1,3,5-triene?
The InChIKey is ZAKAIUHLCUBPCY-DTXRTVNVSA-N. The full InChI is InChI=1S/C18H20O2/c1-7-11-19-15(5)13-18(17(9-3)10-4)14-16(6)20-12-8-2/h1-2,9-10,13-14H,3,5,11-12H2,4,6H3/b16-14+,17-10-,18-13-.
What are the key properties of (3Z,5Z)-5-ethenyl-2-prop-2-ynoxy-4-[(E)-2-prop-2-ynoxyprop-1-enyl]hepta-1,3,5-triene?
(3Z,5Z)-5-ethenyl-2-prop-2-ynoxy-4-[(E)-2-prop-2-ynoxyprop-1-enyl]hepta-1,3,5-triene has a molecular weight of 268.36 g/mol, XLogP of 3.76, 8 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (3Z,5Z)-5-ethenyl-2-prop-2-ynoxy-4-[(E)-2-prop-2-ynoxyprop-1-enyl]hepta-1,3,5-triene is sourced from PubChem (CID 167266185), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).