(Z)-3,7-diethyl-1,1,1,9,9,9-hexafluoro-4,6-dimethoxynon-4-ene;(Z)-3-ethyl-1,1,1,9,9,9-hexafluoro-4,6-dimethoxy-7-(2,2,2-trifluoroethyl)non-4-ene

C30H45F15O4 — CID 157261605

IUPAC(Z)-3,7-diethyl-1,1,1,9,9,9-hexafluoro-4,6-dimethoxynon-4-ene;(Z)-3-ethyl-1,1,1,9,9,9-hexafluoro-4,6-dimethoxy-7-(2,2,2-trifluoroethyl)non-4-ene
SMILESCCC(CC(F)(F)F)/C(=C/C(OC)C(CC(F)(F)F)CC(F)(F)F)OC.CCC(CC(F)(F)F)/C(=C/C(OC)C(CC)CC(F)(F)F)OC
InChIInChI=1S/C15H21F9O2.C15H24F6O2/c1-4-9(6-13(16,17)18)11(25-2)5-12(26-3)10(7-14(19,20)21)8-15(22,23)24;1-5-10(8-14(16,17)18)12(22-3)7-13(23-4)11(6-2)9-15(19,20)21/h5,9-10,12H,4,6-8H2,1-3H3;7,10-12H,5-6,8-9H2,1-4H3/b11-5-;13-7-
InChIKeyAXNLASSLPCMRDJ-PBBZJFIBSA-N
MW754.66 g/mol
LogP11.52
Rot. Bonds18

About (Z)-3,7-diethyl-1,1,1,9,9,9-hexafluoro-4,6-dimethoxynon-4-ene;(Z)-3-ethyl-1,1,1,9,9,9-hexafluoro-4,6-dimethoxy-7-(2,2,2-trifluoroethyl)non-4-ene

(Z)-3,7-diethyl-1,1,1,9,9,9-hexafluoro-4,6-dimethoxynon-4-ene;(Z)-3-ethyl-1,1,1,9,9,9-hexafluoro-4,6-dimethoxy-7-(2,2,2-trifluoroethyl)non-4-ene (PubChem CID 157261605) has the molecular formula C30H45F15O4 and a molecular weight of 754.66 g/mol. Its IUPAC name is (Z)-3,7-diethyl-1,1,1,9,9,9-hexafluoro-4,6-dimethoxynon-4-ene;(Z)-3-ethyl-1,1,1,9,9,9-hexafluoro-4,6-dimethoxy-7-(2,2,2-trifluoroethyl)non-4-ene.

Molecular Properties

Compound Name(Z)-3,7-diethyl-1,1,1,9,9,9-hexafluoro-4,6-dimethoxynon-4-ene;(Z)-3-ethyl-1,1,1,9,9,9-hexafluoro-4,6-dimethoxy-7-(2,2,2-trifluoroethyl)non-4-ene
PubChem CID157261605
Molecular FormulaC30H45F15O4
Molecular Weight754.66 g/mol
Exact Mass754.31
IUPAC Name(Z)-3,7-diethyl-1,1,1,9,9,9-hexafluoro-4,6-dimethoxynon-4-ene;(Z)-3-ethyl-1,1,1,9,9,9-hexafluoro-4,6-dimethoxy-7-(2,2,2-trifluoroethyl)non-4-ene
SMILESCCC(CC(F)(F)F)/C(=C/C(OC)C(CC(F)(F)F)CC(F)(F)F)OC.CCC(CC(F)(F)F)/C(=C/C(OC)C(CC)CC(F)(F)F)OC
InChIInChI=1S/C15H21F9O2.C15H24F6O2/c1-4-9(6-13(16,17)18)11(25-2)5-12(26-3)10(7-14(19,20)21)8-15(22,23)24;1-5-10(8-14(16,17)18)12(22-3)7-13(23-4)11(6-2)9-15(19,20)21/h5,9-10,12H,4,6-8H2,1-3H3;7,10-12H,5-6,8-9H2,1-4H3/b11-5-;13-7-
InChIKeyAXNLASSLPCMRDJ-PBBZJFIBSA-N
XLogP11.52
TPSA36.92 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds18
Heavy Atoms49
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500754.66
LogP ≤ 511.52
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

Analyze (Z)-3,7-diethyl-1,1,1,9,9,9-hexafluoro-4,6-dimethoxynon-4-ene;(Z)-3-ethyl-1,1,1,9,9,9-hexafluoro-4,6-dimethoxy-7-(2,2,2-trifluoroethyl)non-4-ene with MolForge

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Related Compounds

(3Z,7E)-2-[(E)-1,1-difluoro-2,5-dimethyl-6-(2-methylpropoxy)hept-2-enoxy]-3,4,8-trifluoro-5,6-dimethylidene-9-(trifluoromethoxy)deca-1,3,7,9-tetraene
CID 144687334
(Z)-3,7-diethyl-1,1,1,9,9,9-hexafluoro-4,6-dimethoxynon-4-ene
CID 147849376
(Z)-1,1,1,9,9,9-hexafluoro-4,6-dimethoxy-3,7-bis(2,2,2-trifluoroethyl)non-4-ene
CID 147941036
(Z)-3,7-diethyl-9,9,9-trifluoro-4,6-dimethoxynon-4-ene
CID 149315141
(Z)-3-ethyl-1,1,1,9,9,9-hexafluoro-4,6-dimethoxy-7-(2,2,2-trifluoroethyl)non-4-ene
CID 157261606

Frequently Asked Questions

What is the IUPAC name of (Z)-3,7-diethyl-1,1,1,9,9,9-hexafluoro-4,6-dimethoxynon-4-ene;(Z)-3-ethyl-1,1,1,9,9,9-hexafluoro-4,6-dimethoxy-7-(2,2,2-trifluoroethyl)non-4-ene?
The IUPAC name of (Z)-3,7-diethyl-1,1,1,9,9,9-hexafluoro-4,6-dimethoxynon-4-ene;(Z)-3-ethyl-1,1,1,9,9,9-hexafluoro-4,6-dimethoxy-7-(2,2,2-trifluoroethyl)non-4-ene (CID 157261605) is (Z)-3,7-diethyl-1,1,1,9,9,9-hexafluoro-4,6-dimethoxynon-4-ene;(Z)-3-ethyl-1,1,1,9,9,9-hexafluoro-4,6-dimethoxy-7-(2,2,2-trifluoroethyl)non-4-ene.
What is the SMILES notation for (Z)-3,7-diethyl-1,1,1,9,9,9-hexafluoro-4,6-dimethoxynon-4-ene;(Z)-3-ethyl-1,1,1,9,9,9-hexafluoro-4,6-dimethoxy-7-(2,2,2-trifluoroethyl)non-4-ene?
The canonical SMILES for (Z)-3,7-diethyl-1,1,1,9,9,9-hexafluoro-4,6-dimethoxynon-4-ene;(Z)-3-ethyl-1,1,1,9,9,9-hexafluoro-4,6-dimethoxy-7-(2,2,2-trifluoroethyl)non-4-ene is CCC(CC(F)(F)F)/C(=C/C(OC)C(CC(F)(F)F)CC(F)(F)F)OC.CCC(CC(F)(F)F)/C(=C/C(OC)C(CC)CC(F)(F)F)OC.
What is the InChIKey of (Z)-3,7-diethyl-1,1,1,9,9,9-hexafluoro-4,6-dimethoxynon-4-ene;(Z)-3-ethyl-1,1,1,9,9,9-hexafluoro-4,6-dimethoxy-7-(2,2,2-trifluoroethyl)non-4-ene?
The InChIKey is AXNLASSLPCMRDJ-PBBZJFIBSA-N. The full InChI is InChI=1S/C15H21F9O2.C15H24F6O2/c1-4-9(6-13(16,17)18)11(25-2)5-12(26-3)10(7-14(19,20)21)8-15(22,23)24;1-5-10(8-14(16,17)18)12(22-3)7-13(23-4)11(6-2)9-15(19,20)21/h5,9-10,12H,4,6-8H2,1-3H3;7,10-12H,5-6,8-9H2,1-4H3/b11-5-;13-7-.
What are the key properties of (Z)-3,7-diethyl-1,1,1,9,9,9-hexafluoro-4,6-dimethoxynon-4-ene;(Z)-3-ethyl-1,1,1,9,9,9-hexafluoro-4,6-dimethoxy-7-(2,2,2-trifluoroethyl)non-4-ene?
(Z)-3,7-diethyl-1,1,1,9,9,9-hexafluoro-4,6-dimethoxynon-4-ene;(Z)-3-ethyl-1,1,1,9,9,9-hexafluoro-4,6-dimethoxy-7-(2,2,2-trifluoroethyl)non-4-ene has a molecular weight of 754.66 g/mol, XLogP of 11.52, 18 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (Z)-3,7-diethyl-1,1,1,9,9,9-hexafluoro-4,6-dimethoxynon-4-ene;(Z)-3-ethyl-1,1,1,9,9,9-hexafluoro-4,6-dimethoxy-7-(2,2,2-trifluoroethyl)non-4-ene is sourced from PubChem (CID 157261605), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).