dihydroxy-methoxy-[15-(2,2,2-trifluoroethoxy)pentadecyl]silane

C18H37F3O4Si — CID 59974845

IUPACdihydroxy-methoxy-[15-(2,2,2-trifluoroethoxy)pentadecyl]silane
SMILESCO[Si](O)(O)CCCCCCCCCCCCCCCOCC(F)(F)F
InChIInChI=1S/C18H37F3O4Si/c1-24-26(22,23)16-14-12-10-8-6-4-2-3-5-7-9-11-13-15-25-17-18(19,20)21/h22-23H,2-17H2,1H3
InChIKeyUVAGCWQJFURQHS-UHFFFAOYSA-N
MW402.57 g/mol
LogP5.21
Rot. Bonds18

About dihydroxy-methoxy-[15-(2,2,2-trifluoroethoxy)pentadecyl]silane

dihydroxy-methoxy-[15-(2,2,2-trifluoroethoxy)pentadecyl]silane (PubChem CID 59974845) has the molecular formula C18H37F3O4Si and a molecular weight of 402.57 g/mol. Its IUPAC name is dihydroxy-methoxy-[15-(2,2,2-trifluoroethoxy)pentadecyl]silane.

Molecular Properties

Compound Namedihydroxy-methoxy-[15-(2,2,2-trifluoroethoxy)pentadecyl]silane
PubChem CID59974845
Molecular FormulaC18H37F3O4Si
Molecular Weight402.57 g/mol
Exact Mass402.24
IUPAC Namedihydroxy-methoxy-[15-(2,2,2-trifluoroethoxy)pentadecyl]silane
SMILESCO[Si](O)(O)CCCCCCCCCCCCCCCOCC(F)(F)F
InChIInChI=1S/C18H37F3O4Si/c1-24-26(22,23)16-14-12-10-8-6-4-2-3-5-7-9-11-13-15-25-17-18(19,20)21/h22-23H,2-17H2,1H3
InChIKeyUVAGCWQJFURQHS-UHFFFAOYSA-N
XLogP5.21
TPSA58.92 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds18
Heavy Atoms26
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500402.57
LogP ≤ 55.21
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

Triethoxy[3-[(2,2,3,3,4,4,5,5,6,6,7,7,8,8,8-pentadecafluorooctyl)oxy]propyl]silane
CID 18466366
12-[2-[2-(2-Methoxyethoxy)ethoxy]ethoxy]-12-[3-[(perfluoroheptyl)methoxy]propyl]-2,5,8,11,13,16,19,22-octaoxa-12-silatricosane
CID 162396566
9-[2-(2-Methoxyethoxy)ethoxy]-9-[3-[(perfluoroheptyl)methoxy]propyl]-2,5,8,10,13,16-hexaoxa-9-silaheptadecane
CID 162396630
Trimethoxy-{3-[(2,2,3,3,4,4,5,5,6,6,7,7,8,8,8-pentadecafluorooctyl)-oxy]-propyl}-silane
CID 19733902
Methoxy-{3-[(2,2,3,3,4,4,5,5,6,6,7,7,8,8,8-pentadecafluorooctyl)-oxy]-propyl}-silane
CID 129819305
Trimethoxy-[2-[3-(17,17,17-trifluoroheptadecyl)oxiran-2-yl]ethyl]silane
CID 17986845
Trimethoxy-[1-(2,2,3,3,4,4,5,5,6,6,7,7,8,8,8-pentadecafluorooctoxy)propyl]silane
CID 19737008
Trimethoxy-[15-(1,2,2-trifluoroethoxy)pentadecyl]silane
CID 19770320
Hydroxy-dimethyl-[3-(3,3,4,4,5,5,6,6,7,7,8,8,8-tridecafluorooctoxy)propyl]silane
CID 19771209
Trimethoxy-[15-(2,2,2-trifluoroethoxy)pentadecyl]silane
CID 21335547
Diethoxy-ethyl-(3,3,4,4,5,5,6,6,7,7,8,8,9,9,10,10,10-heptadecafluorodecoxy)silane
CID 53921315
3-[[[Dimethyl(trimethylsilyloxy)silyl]oxy-[3-(2,2,3,3,4,4,5,5,6,6,7,7,8,8,9,9,9-heptadecafluorononoxy)propyl]-methylsilyl]oxy-dimethylsilyl]propan-1-ol
CID 59944633

Frequently Asked Questions

What is the IUPAC name of dihydroxy-methoxy-[15-(2,2,2-trifluoroethoxy)pentadecyl]silane?
The IUPAC name of dihydroxy-methoxy-[15-(2,2,2-trifluoroethoxy)pentadecyl]silane (CID 59974845) is dihydroxy-methoxy-[15-(2,2,2-trifluoroethoxy)pentadecyl]silane.
What is the SMILES notation for dihydroxy-methoxy-[15-(2,2,2-trifluoroethoxy)pentadecyl]silane?
The canonical SMILES for dihydroxy-methoxy-[15-(2,2,2-trifluoroethoxy)pentadecyl]silane is CO[Si](O)(O)CCCCCCCCCCCCCCCOCC(F)(F)F.
What is the InChIKey of dihydroxy-methoxy-[15-(2,2,2-trifluoroethoxy)pentadecyl]silane?
The InChIKey is UVAGCWQJFURQHS-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H37F3O4Si/c1-24-26(22,23)16-14-12-10-8-6-4-2-3-5-7-9-11-13-15-25-17-18(19,20)21/h22-23H,2-17H2,1H3.
What are the key properties of dihydroxy-methoxy-[15-(2,2,2-trifluoroethoxy)pentadecyl]silane?
dihydroxy-methoxy-[15-(2,2,2-trifluoroethoxy)pentadecyl]silane has a molecular weight of 402.57 g/mol, XLogP of 5.21, 18 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for dihydroxy-methoxy-[15-(2,2,2-trifluoroethoxy)pentadecyl]silane is sourced from PubChem (CID 59974845), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).