2-[(5Z,7Z)-dodeca-5,7-dienoxy]oxane

C17H30O2 — CID 12819513

IUPAC2-[(5Z,7Z)-dodeca-5,7-dienoxy]oxane
SMILESCCCC/C=C\C=C/CCCCOC1CCCCO1
InChIInChI=1S/C17H30O2/c1-2-3-4-5-6-7-8-9-10-12-15-18-17-14-11-13-16-19-17/h5-8,17H,2-4,9-16H2,1H3/b6-5-,8-7-
InChIKeyWXNNYQUAQYKOEN-ISTTXYCBSA-N
MW266.42 g/mol
LogP5.00
Rot. Bonds10

About 2-[(5Z,7Z)-dodeca-5,7-dienoxy]oxane

2-[(5Z,7Z)-dodeca-5,7-dienoxy]oxane (PubChem CID 12819513) has the molecular formula C17H30O2 and a molecular weight of 266.42 g/mol. Its IUPAC name is 2-[(5Z,7Z)-dodeca-5,7-dienoxy]oxane.

Molecular Properties

Compound Name2-[(5Z,7Z)-dodeca-5,7-dienoxy]oxane
PubChem CID12819513
Molecular FormulaC17H30O2
Molecular Weight266.42 g/mol
Exact Mass266.22
IUPAC Name2-[(5Z,7Z)-dodeca-5,7-dienoxy]oxane
SMILESCCCC/C=C\C=C/CCCCOC1CCCCO1
InChIInChI=1S/C17H30O2/c1-2-3-4-5-6-7-8-9-10-12-15-18-17-14-11-13-16-19-17/h5-8,17H,2-4,9-16H2,1H3/b6-5-,8-7-
InChIKeyWXNNYQUAQYKOEN-ISTTXYCBSA-N
XLogP5.00
TPSA18.46 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds10
Heavy Atoms19
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500266.42
LogP ≤ 55.00
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'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-[(5Z,7Z)-dodeca-5,7-dienoxy]oxane?
The IUPAC name of 2-[(5Z,7Z)-dodeca-5,7-dienoxy]oxane (CID 12819513) is 2-[(5Z,7Z)-dodeca-5,7-dienoxy]oxane.
What is the SMILES notation for 2-[(5Z,7Z)-dodeca-5,7-dienoxy]oxane?
The canonical SMILES for 2-[(5Z,7Z)-dodeca-5,7-dienoxy]oxane is CCCC/C=C\C=C/CCCCOC1CCCCO1.
What is the InChIKey of 2-[(5Z,7Z)-dodeca-5,7-dienoxy]oxane?
The InChIKey is WXNNYQUAQYKOEN-ISTTXYCBSA-N. The full InChI is InChI=1S/C17H30O2/c1-2-3-4-5-6-7-8-9-10-12-15-18-17-14-11-13-16-19-17/h5-8,17H,2-4,9-16H2,1H3/b6-5-,8-7-.
What are the key properties of 2-[(5Z,7Z)-dodeca-5,7-dienoxy]oxane?
2-[(5Z,7Z)-dodeca-5,7-dienoxy]oxane has a molecular weight of 266.42 g/mol, XLogP of 5.00, 10 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(5Z,7Z)-dodeca-5,7-dienoxy]oxane is sourced from PubChem (CID 12819513), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).