triethoxy(3,3,4,4,5,5,6,6-octafluorooct-7-enyl)silane

C14H22F8O3Si — CID 18008749

IUPACtriethoxy(3,3,4,4,5,5,6,6-octafluorooct-7-enyl)silane
SMILESC=CC(F)(F)C(F)(F)C(F)(F)C(F)(F)CC[Si](OCC)(OCC)OCC
InChIInChI=1S/C14H22F8O3Si/c1-5-11(15,16)13(19,20)14(21,22)12(17,18)9-10-26(23-6-2,24-7-3)25-8-4/h5H,1,6-10H2,2-4H3
InChIKeyNSIHOWXACOOMML-UHFFFAOYSA-N
MW418.40 g/mol
LogP5.15
Rot. Bonds13

About triethoxy(3,3,4,4,5,5,6,6-octafluorooct-7-enyl)silane

triethoxy(3,3,4,4,5,5,6,6-octafluorooct-7-enyl)silane (PubChem CID 18008749) has the molecular formula C14H22F8O3Si and a molecular weight of 418.40 g/mol. Its IUPAC name is triethoxy(3,3,4,4,5,5,6,6-octafluorooct-7-enyl)silane.

Molecular Properties

Compound Nametriethoxy(3,3,4,4,5,5,6,6-octafluorooct-7-enyl)silane
PubChem CID18008749
Molecular FormulaC14H22F8O3Si
Molecular Weight418.40 g/mol
Exact Mass418.12
IUPAC Nametriethoxy(3,3,4,4,5,5,6,6-octafluorooct-7-enyl)silane
SMILESC=CC(F)(F)C(F)(F)C(F)(F)C(F)(F)CC[Si](OCC)(OCC)OCC
InChIInChI=1S/C14H22F8O3Si/c1-5-11(15,16)13(19,20)14(21,22)12(17,18)9-10-26(23-6-2,24-7-3)25-8-4/h5H,1,6-10H2,2-4H3
InChIKeyNSIHOWXACOOMML-UHFFFAOYSA-N
XLogP5.15
TPSA27.69 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds13
Heavy Atoms26
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500418.40
LogP ≤ 55.15
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

3,3,4,4,5,5,6,6,7,7,8,8,8-tridecafluorooct-1-ene;triethoxy(3,3,4,4,5,5,6,6,7,7,8,8,8-tridecafluorooctyl)silane
CID 158341824
triethoxy(3,3,4,4,5,5,6,6,7,7,8,8,9,9,10,10,11,11,12,12,12-henicosafluorododecyl)silane;triethoxy(3,3,4,4,5,5,6,6,7,7,8,8,9,9,10,10,11,11,12,12,13,13,14,14,14-pentacosafluorotetradecyl)silane
CID 171316019
triethoxy(3,3,4,4,5,5,6,6,7,7,8,8,9,9,10,10,10-heptadecafluorodecyl)silane;triethoxy(3,3,4,4,5,5,6,6,6-nonafluorohexyl)silane
CID 159728593
diethoxy-(3,3,4,4,5,5,6,6,7,7,8,8,9,9,9-pentadecafluorononyl)-propoxysilane
CID 155607261
3,3,4,4,5,5,6,6,7,7,8,8-dodecafluorodec-9-enyl-bis[[hydroxy(dimethyl)silyl]oxy]-methylsilane
CID 21361130
dichloro-methyl-(3,3,4,4,5,5,6,6,7,7,8,8,9,9,10,10,11,11,12,12,13,13,14,14,15,15,16,16-octacosafluorooctadec-17-enyl)silane;trichloro(3,3,4,4,5,5,6,6,7,7,8,8,9,9,10,10,11,11,12,12,13,13,14,14,15,15,16,16-octacosafluorooctadec-17-enyl)silane
CID 91593862
3,3,4,4,5,5,6,6,7,7,8,8-dodecafluorodec-1-ene
CID 19913308
triethoxy(12,12,13,13,14,14,15,15,16,16,17,17,18,18,19,19,19-heptadecafluorononadecyl)silane
CID 138375957
triethoxy(12,12,13,13,14,14,15,15,16,16,17,17,17-tridecafluoroheptadecyl)silane
CID 138375960
triethoxy(3,3,4,4,5,5,6-heptafluorodecyl)silane
CID 87687604
(15E)-3,3,4,4,5,5,6,6,7,7,8,8,9,9,10,10,11,11,12,12-icosafluoroheptadeca-1,15-diene
CID 89419263
triethoxy(4,4,4-trifluorobutyl)silane
CID 22459507

Frequently Asked Questions

What is the IUPAC name of triethoxy(3,3,4,4,5,5,6,6-octafluorooct-7-enyl)silane?
The IUPAC name of triethoxy(3,3,4,4,5,5,6,6-octafluorooct-7-enyl)silane (CID 18008749) is triethoxy(3,3,4,4,5,5,6,6-octafluorooct-7-enyl)silane.
What is the SMILES notation for triethoxy(3,3,4,4,5,5,6,6-octafluorooct-7-enyl)silane?
The canonical SMILES for triethoxy(3,3,4,4,5,5,6,6-octafluorooct-7-enyl)silane is C=CC(F)(F)C(F)(F)C(F)(F)C(F)(F)CC[Si](OCC)(OCC)OCC.
What is the InChIKey of triethoxy(3,3,4,4,5,5,6,6-octafluorooct-7-enyl)silane?
The InChIKey is NSIHOWXACOOMML-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H22F8O3Si/c1-5-11(15,16)13(19,20)14(21,22)12(17,18)9-10-26(23-6-2,24-7-3)25-8-4/h5H,1,6-10H2,2-4H3.
What are the key properties of triethoxy(3,3,4,4,5,5,6,6-octafluorooct-7-enyl)silane?
triethoxy(3,3,4,4,5,5,6,6-octafluorooct-7-enyl)silane has a molecular weight of 418.40 g/mol, XLogP of 5.15, 13 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for triethoxy(3,3,4,4,5,5,6,6-octafluorooct-7-enyl)silane is sourced from PubChem (CID 18008749), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).