2-(2-ethoxyethoxy)-6-[(1E,3E)-4-(2-ethoxyethoxy)penta-1,3-dienyl]cyclohexa-1,3-diene

C19H30O4 — CID 89200555

IUPAC2-(2-ethoxyethoxy)-6-[(1E,3E)-4-(2-ethoxyethoxy)penta-1,3-dienyl]cyclohexa-1,3-diene
SMILESCCOCCOC1=CC(/C=C/C=C(\C)OCCOCC)CC=C1
InChIInChI=1S/C19H30O4/c1-4-20-12-14-22-17(3)8-6-9-18-10-7-11-19(16-18)23-15-13-21-5-2/h6-9,11,16,18H,4-5,10,12-15H2,1-3H3/b9-6+,17-8+
InChIKeyACZJKGROMIHNFA-LQWOVWEESA-N
MW322.45 g/mol
LogP4.01
Rot. Bonds12

About 2-(2-ethoxyethoxy)-6-[(1E,3E)-4-(2-ethoxyethoxy)penta-1,3-dienyl]cyclohexa-1,3-diene

2-(2-ethoxyethoxy)-6-[(1E,3E)-4-(2-ethoxyethoxy)penta-1,3-dienyl]cyclohexa-1,3-diene (PubChem CID 89200555) has the molecular formula C19H30O4 and a molecular weight of 322.45 g/mol. Its IUPAC name is 2-(2-ethoxyethoxy)-6-[(1E,3E)-4-(2-ethoxyethoxy)penta-1,3-dienyl]cyclohexa-1,3-diene.

Molecular Properties

Compound Name2-(2-ethoxyethoxy)-6-[(1E,3E)-4-(2-ethoxyethoxy)penta-1,3-dienyl]cyclohexa-1,3-diene
PubChem CID89200555
Molecular FormulaC19H30O4
Molecular Weight322.45 g/mol
Exact Mass322.21
IUPAC Name2-(2-ethoxyethoxy)-6-[(1E,3E)-4-(2-ethoxyethoxy)penta-1,3-dienyl]cyclohexa-1,3-diene
SMILESCCOCCOC1=CC(/C=C/C=C(\C)OCCOCC)CC=C1
InChIInChI=1S/C19H30O4/c1-4-20-12-14-22-17(3)8-6-9-18-10-7-11-19(16-18)23-15-13-21-5-2/h6-9,11,16,18H,4-5,10,12-15H2,1-3H3/b9-6+,17-8+
InChIKeyACZJKGROMIHNFA-LQWOVWEESA-N
XLogP4.01
TPSA36.92 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds12
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500322.45
LogP ≤ 54.01
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 2-(2-ethoxyethoxy)-6-[(1E,3E)-4-(2-ethoxyethoxy)penta-1,3-dienyl]cyclohexa-1,3-diene?
The IUPAC name of 2-(2-ethoxyethoxy)-6-[(1E,3E)-4-(2-ethoxyethoxy)penta-1,3-dienyl]cyclohexa-1,3-diene (CID 89200555) is 2-(2-ethoxyethoxy)-6-[(1E,3E)-4-(2-ethoxyethoxy)penta-1,3-dienyl]cyclohexa-1,3-diene.
What is the SMILES notation for 2-(2-ethoxyethoxy)-6-[(1E,3E)-4-(2-ethoxyethoxy)penta-1,3-dienyl]cyclohexa-1,3-diene?
The canonical SMILES for 2-(2-ethoxyethoxy)-6-[(1E,3E)-4-(2-ethoxyethoxy)penta-1,3-dienyl]cyclohexa-1,3-diene is CCOCCOC1=CC(/C=C/C=C(\C)OCCOCC)CC=C1.
What is the InChIKey of 2-(2-ethoxyethoxy)-6-[(1E,3E)-4-(2-ethoxyethoxy)penta-1,3-dienyl]cyclohexa-1,3-diene?
The InChIKey is ACZJKGROMIHNFA-LQWOVWEESA-N. The full InChI is InChI=1S/C19H30O4/c1-4-20-12-14-22-17(3)8-6-9-18-10-7-11-19(16-18)23-15-13-21-5-2/h6-9,11,16,18H,4-5,10,12-15H2,1-3H3/b9-6+,17-8+.
What are the key properties of 2-(2-ethoxyethoxy)-6-[(1E,3E)-4-(2-ethoxyethoxy)penta-1,3-dienyl]cyclohexa-1,3-diene?
2-(2-ethoxyethoxy)-6-[(1E,3E)-4-(2-ethoxyethoxy)penta-1,3-dienyl]cyclohexa-1,3-diene has a molecular weight of 322.45 g/mol, XLogP of 4.01, 12 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-ethoxyethoxy)-6-[(1E,3E)-4-(2-ethoxyethoxy)penta-1,3-dienyl]cyclohexa-1,3-diene is sourced from PubChem (CID 89200555), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).