6-fluoro-6-pent-4-enoxyundeca-1,10-diene

C16H27FO — CID 122631411

IUPAC6-fluoro-6-pent-4-enoxyundeca-1,10-diene
SMILESC=CCCCOC(F)(CCCC=C)CCCC=C
InChIInChI=1S/C16H27FO/c1-4-7-10-13-16(17,14-11-8-5-2)18-15-12-9-6-3/h4-6H,1-3,7-15H2
InChIKeyGQXYXKSMHQTONA-UHFFFAOYSA-N
MW254.39 g/mol
LogP5.35
Rot. Bonds13

About 6-fluoro-6-pent-4-enoxyundeca-1,10-diene

6-fluoro-6-pent-4-enoxyundeca-1,10-diene (PubChem CID 122631411) has the molecular formula C16H27FO and a molecular weight of 254.39 g/mol. Its IUPAC name is 6-fluoro-6-pent-4-enoxyundeca-1,10-diene.

Molecular Properties

Compound Name6-fluoro-6-pent-4-enoxyundeca-1,10-diene
PubChem CID122631411
Molecular FormulaC16H27FO
Molecular Weight254.39 g/mol
Exact Mass254.20
IUPAC Name6-fluoro-6-pent-4-enoxyundeca-1,10-diene
SMILESC=CCCCOC(F)(CCCC=C)CCCC=C
InChIInChI=1S/C16H27FO/c1-4-7-10-13-16(17,14-11-8-5-2)18-15-12-9-6-3/h4-6H,1-3,7-15H2
InChIKeyGQXYXKSMHQTONA-UHFFFAOYSA-N
XLogP5.35
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds13
Heavy Atoms18
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500254.39
LogP ≤ 55.35
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 6-fluoro-6-pent-4-enoxyundeca-1,10-diene?
The IUPAC name of 6-fluoro-6-pent-4-enoxyundeca-1,10-diene (CID 122631411) is 6-fluoro-6-pent-4-enoxyundeca-1,10-diene.
What is the SMILES notation for 6-fluoro-6-pent-4-enoxyundeca-1,10-diene?
The canonical SMILES for 6-fluoro-6-pent-4-enoxyundeca-1,10-diene is C=CCCCOC(F)(CCCC=C)CCCC=C.
What is the InChIKey of 6-fluoro-6-pent-4-enoxyundeca-1,10-diene?
The InChIKey is GQXYXKSMHQTONA-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H27FO/c1-4-7-10-13-16(17,14-11-8-5-2)18-15-12-9-6-3/h4-6H,1-3,7-15H2.
What are the key properties of 6-fluoro-6-pent-4-enoxyundeca-1,10-diene?
6-fluoro-6-pent-4-enoxyundeca-1,10-diene has a molecular weight of 254.39 g/mol, XLogP of 5.35, 13 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 6-fluoro-6-pent-4-enoxyundeca-1,10-diene is sourced from PubChem (CID 122631411), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).