3-[(Z)-10-fluorodec-3-enyl]-2-[3-[(Z)-10-fluorodec-3-enyl]oxan-2-yl]oxyoxane

C30H52F2O3 — CID 70505907

IUPAC3-[(Z)-10-fluorodec-3-enyl]-2-[3-[(Z)-10-fluorodec-3-enyl]oxan-2-yl]oxyoxane
SMILESFCCCCCC/C=C\CCC1CCCOC1OC1OCCCC1CC/C=C\CCCCCCF
InChIInChI=1S/C30H52F2O3/c31-23-15-11-7-3-1-5-9-13-19-27-21-17-25-33-29(27)35-30-28(22-18-26-34-30)20-14-10-6-2-4-8-12-16-24-32/h5-6,9-10,27-30H,1-4,7-8,11-26H2/b9-5-,10-6-
InChIKeyGNSPSWHSBICUBP-OZDSWYPASA-N
MW498.74 g/mol
LogP9.02
Rot. Bonds20

About 3-[(Z)-10-fluorodec-3-enyl]-2-[3-[(Z)-10-fluorodec-3-enyl]oxan-2-yl]oxyoxane

3-[(Z)-10-fluorodec-3-enyl]-2-[3-[(Z)-10-fluorodec-3-enyl]oxan-2-yl]oxyoxane (PubChem CID 70505907) has the molecular formula C30H52F2O3 and a molecular weight of 498.74 g/mol. Its IUPAC name is 3-[(Z)-10-fluorodec-3-enyl]-2-[3-[(Z)-10-fluorodec-3-enyl]oxan-2-yl]oxyoxane.

Molecular Properties

Compound Name3-[(Z)-10-fluorodec-3-enyl]-2-[3-[(Z)-10-fluorodec-3-enyl]oxan-2-yl]oxyoxane
PubChem CID70505907
Molecular FormulaC30H52F2O3
Molecular Weight498.74 g/mol
Exact Mass498.39
IUPAC Name3-[(Z)-10-fluorodec-3-enyl]-2-[3-[(Z)-10-fluorodec-3-enyl]oxan-2-yl]oxyoxane
SMILESFCCCCCC/C=C\CCC1CCCOC1OC1OCCCC1CC/C=C\CCCCCCF
InChIInChI=1S/C30H52F2O3/c31-23-15-11-7-3-1-5-9-13-19-27-21-17-25-33-29(27)35-30-28(22-18-26-34-30)20-14-10-6-2-4-8-12-16-24-32/h5-6,9-10,27-30H,1-4,7-8,11-26H2/b9-5-,10-6-
InChIKeyGNSPSWHSBICUBP-OZDSWYPASA-N
XLogP9.02
TPSA27.69 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds20
Heavy Atoms35
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500498.74
LogP ≤ 59.02
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

Analyze 3-[(Z)-10-fluorodec-3-enyl]-2-[3-[(Z)-10-fluorodec-3-enyl]oxan-2-yl]oxyoxane with MolForge

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Launch Full Analysis

Related Compounds

3-(11-bromoundecyl)-2-[3-(11-bromoundecyl)oxan-2-yl]oxyoxane
CID 57288938
3-prop-2-ynyl-2-(3-prop-2-ynyloxan-2-yl)oxyoxane
CID 88821575
4-[(2S,3R)-2-methoxyoxan-3-yl]-2-methylbutan-2-ol
CID 10420393
7-[(2S,3R)-2-oct-1-enyloxan-3-yl]hept-5-eneperoxoic acid
CID 140568678
2-[(E)-11-iodoundec-10-enoxy]oxane
CID 11280429
(Z)-heptadec-11-en-1-ol;2-(oxan-2-yloxy)oxane
CID 86737423
hexadec-11-en-1-ol;2-(oxan-2-yloxy)oxane
CID 70568383
(2R)-2-[(E)-dodec-5-enoxy]oxane
CID 125486255
(5Z,14Z)-19-(oxan-2-yloxy)nonadeca-5,14-dien-1-ol
CID 153316547
2-[(6Z,12Z)-octadeca-6,12-dienoxy]oxane
CID 163386037
2-[(E)-dec-3-enoxy]oxane
CID 15649194
2-(8-chlorooct-2-enoxy)oxane
CID 71417540

Frequently Asked Questions

What is the IUPAC name of 3-[(Z)-10-fluorodec-3-enyl]-2-[3-[(Z)-10-fluorodec-3-enyl]oxan-2-yl]oxyoxane?
The IUPAC name of 3-[(Z)-10-fluorodec-3-enyl]-2-[3-[(Z)-10-fluorodec-3-enyl]oxan-2-yl]oxyoxane (CID 70505907) is 3-[(Z)-10-fluorodec-3-enyl]-2-[3-[(Z)-10-fluorodec-3-enyl]oxan-2-yl]oxyoxane.
What is the SMILES notation for 3-[(Z)-10-fluorodec-3-enyl]-2-[3-[(Z)-10-fluorodec-3-enyl]oxan-2-yl]oxyoxane?
The canonical SMILES for 3-[(Z)-10-fluorodec-3-enyl]-2-[3-[(Z)-10-fluorodec-3-enyl]oxan-2-yl]oxyoxane is FCCCCCC/C=C\CCC1CCCOC1OC1OCCCC1CC/C=C\CCCCCCF.
What is the InChIKey of 3-[(Z)-10-fluorodec-3-enyl]-2-[3-[(Z)-10-fluorodec-3-enyl]oxan-2-yl]oxyoxane?
The InChIKey is GNSPSWHSBICUBP-OZDSWYPASA-N. The full InChI is InChI=1S/C30H52F2O3/c31-23-15-11-7-3-1-5-9-13-19-27-21-17-25-33-29(27)35-30-28(22-18-26-34-30)20-14-10-6-2-4-8-12-16-24-32/h5-6,9-10,27-30H,1-4,7-8,11-26H2/b9-5-,10-6-.
What are the key properties of 3-[(Z)-10-fluorodec-3-enyl]-2-[3-[(Z)-10-fluorodec-3-enyl]oxan-2-yl]oxyoxane?
3-[(Z)-10-fluorodec-3-enyl]-2-[3-[(Z)-10-fluorodec-3-enyl]oxan-2-yl]oxyoxane has a molecular weight of 498.74 g/mol, XLogP of 9.02, 20 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(Z)-10-fluorodec-3-enyl]-2-[3-[(Z)-10-fluorodec-3-enyl]oxan-2-yl]oxyoxane is sourced from PubChem (CID 70505907), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).