(Z)-3,7-diethyl-9,9,9-trifluoro-4,6-dimethoxynon-4-ene

C15H27F3O2 — CID 149315141

IUPAC(Z)-3,7-diethyl-9,9,9-trifluoro-4,6-dimethoxynon-4-ene
SMILESCCC(CC)/C(=C/C(OC)C(CC)CC(F)(F)F)OC
InChIInChI=1S/C15H27F3O2/c1-6-11(7-2)13(19-4)9-14(20-5)12(8-3)10-15(16,17)18/h9,11-12,14H,6-8,10H2,1-5H3/b13-9-
InChIKeyXZIXMCYREZQDLG-LCYFTJDESA-N
MW296.37 g/mol
LogP4.95
Rot. Bonds9

About (Z)-3,7-diethyl-9,9,9-trifluoro-4,6-dimethoxynon-4-ene

(Z)-3,7-diethyl-9,9,9-trifluoro-4,6-dimethoxynon-4-ene (PubChem CID 149315141) has the molecular formula C15H27F3O2 and a molecular weight of 296.37 g/mol. Its IUPAC name is (Z)-3,7-diethyl-9,9,9-trifluoro-4,6-dimethoxynon-4-ene.

Molecular Properties

Compound Name(Z)-3,7-diethyl-9,9,9-trifluoro-4,6-dimethoxynon-4-ene
PubChem CID149315141
Molecular FormulaC15H27F3O2
Molecular Weight296.37 g/mol
Exact Mass296.20
IUPAC Name(Z)-3,7-diethyl-9,9,9-trifluoro-4,6-dimethoxynon-4-ene
SMILESCCC(CC)/C(=C/C(OC)C(CC)CC(F)(F)F)OC
InChIInChI=1S/C15H27F3O2/c1-6-11(7-2)13(19-4)9-14(20-5)12(8-3)10-15(16,17)18/h9,11-12,14H,6-8,10H2,1-5H3/b13-9-
InChIKeyXZIXMCYREZQDLG-LCYFTJDESA-N
XLogP4.95
TPSA18.46 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds9
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500296.37
LogP ≤ 54.95
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of (Z)-3,7-diethyl-9,9,9-trifluoro-4,6-dimethoxynon-4-ene?
The IUPAC name of (Z)-3,7-diethyl-9,9,9-trifluoro-4,6-dimethoxynon-4-ene (CID 149315141) is (Z)-3,7-diethyl-9,9,9-trifluoro-4,6-dimethoxynon-4-ene.
What is the SMILES notation for (Z)-3,7-diethyl-9,9,9-trifluoro-4,6-dimethoxynon-4-ene?
The canonical SMILES for (Z)-3,7-diethyl-9,9,9-trifluoro-4,6-dimethoxynon-4-ene is CCC(CC)/C(=C/C(OC)C(CC)CC(F)(F)F)OC.
What is the InChIKey of (Z)-3,7-diethyl-9,9,9-trifluoro-4,6-dimethoxynon-4-ene?
The InChIKey is XZIXMCYREZQDLG-LCYFTJDESA-N. The full InChI is InChI=1S/C15H27F3O2/c1-6-11(7-2)13(19-4)9-14(20-5)12(8-3)10-15(16,17)18/h9,11-12,14H,6-8,10H2,1-5H3/b13-9-.
What are the key properties of (Z)-3,7-diethyl-9,9,9-trifluoro-4,6-dimethoxynon-4-ene?
(Z)-3,7-diethyl-9,9,9-trifluoro-4,6-dimethoxynon-4-ene has a molecular weight of 296.37 g/mol, XLogP of 4.95, 9 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (Z)-3,7-diethyl-9,9,9-trifluoro-4,6-dimethoxynon-4-ene is sourced from PubChem (CID 149315141), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).