(Z)-1,1,1,2,2,3,3-heptafluoro-4,6-dimethoxy-7,7-dimethyloct-4-ene

C12H17F7O2 — CID 90936357

IUPAC(Z)-1,1,1,2,2,3,3-heptafluoro-4,6-dimethoxy-7,7-dimethyloct-4-ene
SMILESCO/C(=C\C(OC)C(C)(C)C)C(F)(F)C(F)(F)C(F)(F)F
InChIInChI=1S/C12H17F7O2/c1-9(2,3)7(20-4)6-8(21-5)10(13,14)11(15,16)12(17,18)19/h6-7H,1-5H3/b8-6-
InChIKeyICVRYXLPZBWWMU-VURMDHGXSA-N
MW326.25 g/mol
LogP4.41
Rot. Bonds5

About (Z)-1,1,1,2,2,3,3-heptafluoro-4,6-dimethoxy-7,7-dimethyloct-4-ene

(Z)-1,1,1,2,2,3,3-heptafluoro-4,6-dimethoxy-7,7-dimethyloct-4-ene (PubChem CID 90936357) has the molecular formula C12H17F7O2 and a molecular weight of 326.25 g/mol. Its IUPAC name is (Z)-1,1,1,2,2,3,3-heptafluoro-4,6-dimethoxy-7,7-dimethyloct-4-ene.

Molecular Properties

Compound Name(Z)-1,1,1,2,2,3,3-heptafluoro-4,6-dimethoxy-7,7-dimethyloct-4-ene
PubChem CID90936357
Molecular FormulaC12H17F7O2
Molecular Weight326.25 g/mol
Exact Mass326.11
IUPAC Name(Z)-1,1,1,2,2,3,3-heptafluoro-4,6-dimethoxy-7,7-dimethyloct-4-ene
SMILESCO/C(=C\C(OC)C(C)(C)C)C(F)(F)C(F)(F)C(F)(F)F
InChIInChI=1S/C12H17F7O2/c1-9(2,3)7(20-4)6-8(21-5)10(13,14)11(15,16)12(17,18)19/h6-7H,1-5H3/b8-6-
InChIKeyICVRYXLPZBWWMU-VURMDHGXSA-N
XLogP4.41
TPSA18.46 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500326.25
LogP ≤ 54.41
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

(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
(Z)-3,5-dimethoxy-2,2,6,6-tetramethylhept-3-ene
CID 59561715
3,5-Dimethoxy-2,2,6,6-tetramethylhept-3-ene
CID 72326599
5-Ethoxy-3-methoxy-2,2,6,6-tetramethylhept-3-ene
CID 90935262
3-Ethoxy-5-methoxy-2,2,6,6-tetramethylhept-3-ene
CID 123921330
(Z)-3,5-dimethoxy-2,2,6,6-tetramethylhept-3-ene;ethane
CID 144918412

Frequently Asked Questions

What is the IUPAC name of (Z)-1,1,1,2,2,3,3-heptafluoro-4,6-dimethoxy-7,7-dimethyloct-4-ene?
The IUPAC name of (Z)-1,1,1,2,2,3,3-heptafluoro-4,6-dimethoxy-7,7-dimethyloct-4-ene (CID 90936357) is (Z)-1,1,1,2,2,3,3-heptafluoro-4,6-dimethoxy-7,7-dimethyloct-4-ene.
What is the SMILES notation for (Z)-1,1,1,2,2,3,3-heptafluoro-4,6-dimethoxy-7,7-dimethyloct-4-ene?
The canonical SMILES for (Z)-1,1,1,2,2,3,3-heptafluoro-4,6-dimethoxy-7,7-dimethyloct-4-ene is CO/C(=C\C(OC)C(C)(C)C)C(F)(F)C(F)(F)C(F)(F)F.
What is the InChIKey of (Z)-1,1,1,2,2,3,3-heptafluoro-4,6-dimethoxy-7,7-dimethyloct-4-ene?
The InChIKey is ICVRYXLPZBWWMU-VURMDHGXSA-N. The full InChI is InChI=1S/C12H17F7O2/c1-9(2,3)7(20-4)6-8(21-5)10(13,14)11(15,16)12(17,18)19/h6-7H,1-5H3/b8-6-.
What are the key properties of (Z)-1,1,1,2,2,3,3-heptafluoro-4,6-dimethoxy-7,7-dimethyloct-4-ene?
(Z)-1,1,1,2,2,3,3-heptafluoro-4,6-dimethoxy-7,7-dimethyloct-4-ene has a molecular weight of 326.25 g/mol, XLogP of 4.41, 5 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (Z)-1,1,1,2,2,3,3-heptafluoro-4,6-dimethoxy-7,7-dimethyloct-4-ene is sourced from PubChem (CID 90936357), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).