triethoxy(1,1,2,2,3-pentafluorodecyl)silane

C16H31F5O3Si — CID 139987184

IUPACtriethoxy(1,1,2,2,3-pentafluorodecyl)silane
SMILESCCCCCCCC(F)C(F)(F)C(F)(F)[Si](OCC)(OCC)OCC
InChIInChI=1S/C16H31F5O3Si/c1-5-9-10-11-12-13-14(17)15(18,19)16(20,21)25(22-6-2,23-7-3)24-8-4/h14H,5-13H2,1-4H3
InChIKeyAEAOELXAYBORQX-UHFFFAOYSA-N
MW394.50 g/mol
LogP5.54
Rot. Bonds15

About triethoxy(1,1,2,2,3-pentafluorodecyl)silane

triethoxy(1,1,2,2,3-pentafluorodecyl)silane (PubChem CID 139987184) has the molecular formula C16H31F5O3Si and a molecular weight of 394.50 g/mol. Its IUPAC name is triethoxy(1,1,2,2,3-pentafluorodecyl)silane.

Molecular Properties

Compound Nametriethoxy(1,1,2,2,3-pentafluorodecyl)silane
PubChem CID139987184
Molecular FormulaC16H31F5O3Si
Molecular Weight394.50 g/mol
Exact Mass394.20
IUPAC Nametriethoxy(1,1,2,2,3-pentafluorodecyl)silane
SMILESCCCCCCCC(F)C(F)(F)C(F)(F)[Si](OCC)(OCC)OCC
InChIInChI=1S/C16H31F5O3Si/c1-5-9-10-11-12-13-14(17)15(18,19)16(20,21)25(22-6-2,23-7-3)24-8-4/h14H,5-13H2,1-4H3
InChIKeyAEAOELXAYBORQX-UHFFFAOYSA-N
XLogP5.54
TPSA27.69 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds15
Heavy Atoms25
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500394.50
LogP ≤ 55.54
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

2,2,3,3,4-pentafluoro-1,1,1-trimethoxydecane
CID 151380849
1,1,1,2,3,3,4-heptafluorodecan-2-ol
CID 139615340
triethoxy(3,3,4,4,5,5,6-heptafluorodecyl)silane
CID 87687604
1,1,2,2,3,3,4,4,5,5,6,6,7,7,8,8,9,9,10-nonadecafluoroicosan-1-ol
CID 54151908
1,2-difluoroheptane-1,1-diol
CID 151949145
triethoxy(2-heptylundecyl)silane
CID 139707869
2,2,3,3,4,4,5-heptafluoroundecanoic acid
CID 175755726
triethoxy(8-fluorohenicosyl)silane
CID 87070985
1,1,2,2,3,3,4-heptafluorododecane-1-sulfonic acid
CID 122480783
triethoxy(2-methylnonan-2-yl)silane
CID 18999451
1-triethoxysilylheptan-2-amine
CID 90410833
1,1,2,2,3,3,4,4,5,5,6-undecafluorododecane-1-sulfonic acid
CID 122480856

Frequently Asked Questions

What is the IUPAC name of triethoxy(1,1,2,2,3-pentafluorodecyl)silane?
The IUPAC name of triethoxy(1,1,2,2,3-pentafluorodecyl)silane (CID 139987184) is triethoxy(1,1,2,2,3-pentafluorodecyl)silane.
What is the SMILES notation for triethoxy(1,1,2,2,3-pentafluorodecyl)silane?
The canonical SMILES for triethoxy(1,1,2,2,3-pentafluorodecyl)silane is CCCCCCCC(F)C(F)(F)C(F)(F)[Si](OCC)(OCC)OCC.
What is the InChIKey of triethoxy(1,1,2,2,3-pentafluorodecyl)silane?
The InChIKey is AEAOELXAYBORQX-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H31F5O3Si/c1-5-9-10-11-12-13-14(17)15(18,19)16(20,21)25(22-6-2,23-7-3)24-8-4/h14H,5-13H2,1-4H3.
What are the key properties of triethoxy(1,1,2,2,3-pentafluorodecyl)silane?
triethoxy(1,1,2,2,3-pentafluorodecyl)silane has a molecular weight of 394.50 g/mol, XLogP of 5.54, 15 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for triethoxy(1,1,2,2,3-pentafluorodecyl)silane is sourced from PubChem (CID 139987184), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).