(1E,3E)-1-[(1E,3E)-hepta-1,3-dienoxy]hepta-1,3-diene

C14H22O — CID 23352975

IUPAC(1E,3E)-1-[(1E,3E)-hepta-1,3-dienoxy]hepta-1,3-diene
SMILESCCC/C=C/C=C/O/C=C/C=C/CCC
InChIInChI=1S/C14H22O/c1-3-5-7-9-11-13-15-14-12-10-8-6-4-2/h7-14H,3-6H2,1-2H3/b9-7+,10-8+,13-11+,14-12+
InChIKeyBYNDKKBUFVHXDT-NOEJSRFCSA-N
MW206.33 g/mol
LogP4.74
Rot. Bonds8

About (1E,3E)-1-[(1E,3E)-hepta-1,3-dienoxy]hepta-1,3-diene

(1E,3E)-1-[(1E,3E)-hepta-1,3-dienoxy]hepta-1,3-diene (PubChem CID 23352975) has the molecular formula C14H22O and a molecular weight of 206.33 g/mol. Its IUPAC name is (1E,3E)-1-[(1E,3E)-hepta-1,3-dienoxy]hepta-1,3-diene.

Molecular Properties

Compound Name(1E,3E)-1-[(1E,3E)-hepta-1,3-dienoxy]hepta-1,3-diene
PubChem CID23352975
Molecular FormulaC14H22O
Molecular Weight206.33 g/mol
Exact Mass206.17
IUPAC Name(1E,3E)-1-[(1E,3E)-hepta-1,3-dienoxy]hepta-1,3-diene
SMILESCCC/C=C/C=C/O/C=C/C=C/CCC
InChIInChI=1S/C14H22O/c1-3-5-7-9-11-13-15-14-12-10-8-6-4-2/h7-14H,3-6H2,1-2H3/b9-7+,10-8+,13-11+,14-12+
InChIKeyBYNDKKBUFVHXDT-NOEJSRFCSA-N
XLogP4.74
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds8
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500206.33
LogP ≤ 54.74
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

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CID 22573894
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CID 53818685
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CID 53887681
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CID 54395412
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CID 54569500
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Frequently Asked Questions

What is the IUPAC name of (1E,3E)-1-[(1E,3E)-hepta-1,3-dienoxy]hepta-1,3-diene?
The IUPAC name of (1E,3E)-1-[(1E,3E)-hepta-1,3-dienoxy]hepta-1,3-diene (CID 23352975) is (1E,3E)-1-[(1E,3E)-hepta-1,3-dienoxy]hepta-1,3-diene.
What is the SMILES notation for (1E,3E)-1-[(1E,3E)-hepta-1,3-dienoxy]hepta-1,3-diene?
The canonical SMILES for (1E,3E)-1-[(1E,3E)-hepta-1,3-dienoxy]hepta-1,3-diene is CCC/C=C/C=C/O/C=C/C=C/CCC.
What is the InChIKey of (1E,3E)-1-[(1E,3E)-hepta-1,3-dienoxy]hepta-1,3-diene?
The InChIKey is BYNDKKBUFVHXDT-NOEJSRFCSA-N. The full InChI is InChI=1S/C14H22O/c1-3-5-7-9-11-13-15-14-12-10-8-6-4-2/h7-14H,3-6H2,1-2H3/b9-7+,10-8+,13-11+,14-12+.
What are the key properties of (1E,3E)-1-[(1E,3E)-hepta-1,3-dienoxy]hepta-1,3-diene?
(1E,3E)-1-[(1E,3E)-hepta-1,3-dienoxy]hepta-1,3-diene has a molecular weight of 206.33 g/mol, XLogP of 4.74, 8 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (1E,3E)-1-[(1E,3E)-hepta-1,3-dienoxy]hepta-1,3-diene is sourced from PubChem (CID 23352975), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).