decyl-(1,1-difluoroethoxy)-ethoxy-(1,1,2,2,2-pentafluoroethoxy)silane

C16H29F7O3Si — CID 175214480

IUPACdecyl-(1,1-difluoroethoxy)-ethoxy-(1,1,2,2,2-pentafluoroethoxy)silane
SMILESCCCCCCCCCC[Si](OCC)(OC(C)(F)F)OC(F)(F)C(F)(F)F
InChIInChI=1S/C16H29F7O3Si/c1-4-6-7-8-9-10-11-12-13-27(24-5-2,25-14(3,17)18)26-16(22,23)15(19,20)21/h4-13H2,1-3H3
InChIKeyQFYZOVZCKBUCJH-UHFFFAOYSA-N
MW430.48 g/mol
LogP6.90
Rot. Bonds15

About decyl-(1,1-difluoroethoxy)-ethoxy-(1,1,2,2,2-pentafluoroethoxy)silane

decyl-(1,1-difluoroethoxy)-ethoxy-(1,1,2,2,2-pentafluoroethoxy)silane (PubChem CID 175214480) has the molecular formula C16H29F7O3Si and a molecular weight of 430.48 g/mol. Its IUPAC name is decyl-(1,1-difluoroethoxy)-ethoxy-(1,1,2,2,2-pentafluoroethoxy)silane.

Molecular Properties

Compound Namedecyl-(1,1-difluoroethoxy)-ethoxy-(1,1,2,2,2-pentafluoroethoxy)silane
PubChem CID175214480
Molecular FormulaC16H29F7O3Si
Molecular Weight430.48 g/mol
Exact Mass430.18
IUPAC Namedecyl-(1,1-difluoroethoxy)-ethoxy-(1,1,2,2,2-pentafluoroethoxy)silane
SMILESCCCCCCCCCC[Si](OCC)(OC(C)(F)F)OC(F)(F)C(F)(F)F
InChIInChI=1S/C16H29F7O3Si/c1-4-6-7-8-9-10-11-12-13-27(24-5-2,25-14(3,17)18)26-16(22,23)15(19,20)21/h4-13H2,1-3H3
InChIKeyQFYZOVZCKBUCJH-UHFFFAOYSA-N
XLogP6.90
TPSA27.69 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds15
Heavy Atoms27
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500430.48
LogP ≤ 56.90
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

ethoxy-(1-fluoroethoxy)-hexyl-(1,1,2,2,2-pentafluoroethoxy)silane
CID 174971084
ethoxy-hexadecyl-methoxy-(trifluoromethoxy)silane
CID 150049820
dodecyl(triethoxy)silane;tridecane
CID 174970002
triethoxy(henicosyl)silane
CID 141362894
triethoxy(nonyl)silane;triethoxy(octyl)silane
CID 175508301
triethoxy(nonyl)silane;hydrofluoride
CID 161088856
silane;triethoxy(tetradecyl)silane
CID 161365398
1-fluorotridecane;triethoxy(octyl)silane
CID 175426925
triethoxy(pentyl)silane;hydrofluoride
CID 174582602
tetraethyl silicate;triethoxy(octyl)silane
CID 174926814
heptadecyl(trimethoxy)silane;triethoxy(heptadecyl)silane
CID 161331020
dodecyl-diethoxy-methoxysilane
CID 141483107

Frequently Asked Questions

What is the IUPAC name of decyl-(1,1-difluoroethoxy)-ethoxy-(1,1,2,2,2-pentafluoroethoxy)silane?
The IUPAC name of decyl-(1,1-difluoroethoxy)-ethoxy-(1,1,2,2,2-pentafluoroethoxy)silane (CID 175214480) is decyl-(1,1-difluoroethoxy)-ethoxy-(1,1,2,2,2-pentafluoroethoxy)silane.
What is the SMILES notation for decyl-(1,1-difluoroethoxy)-ethoxy-(1,1,2,2,2-pentafluoroethoxy)silane?
The canonical SMILES for decyl-(1,1-difluoroethoxy)-ethoxy-(1,1,2,2,2-pentafluoroethoxy)silane is CCCCCCCCCC[Si](OCC)(OC(C)(F)F)OC(F)(F)C(F)(F)F.
What is the InChIKey of decyl-(1,1-difluoroethoxy)-ethoxy-(1,1,2,2,2-pentafluoroethoxy)silane?
The InChIKey is QFYZOVZCKBUCJH-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H29F7O3Si/c1-4-6-7-8-9-10-11-12-13-27(24-5-2,25-14(3,17)18)26-16(22,23)15(19,20)21/h4-13H2,1-3H3.
What are the key properties of decyl-(1,1-difluoroethoxy)-ethoxy-(1,1,2,2,2-pentafluoroethoxy)silane?
decyl-(1,1-difluoroethoxy)-ethoxy-(1,1,2,2,2-pentafluoroethoxy)silane has a molecular weight of 430.48 g/mol, XLogP of 6.90, 15 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for decyl-(1,1-difluoroethoxy)-ethoxy-(1,1,2,2,2-pentafluoroethoxy)silane is sourced from PubChem (CID 175214480), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).