di(propan-2-yloxy)methoxy-[3-(2,3,4,5-tetrafluorophenyl)propyl]silane

C16H24F4O3Si — CID 154500746

IUPACdi(propan-2-yloxy)methoxy-[3-(2,3,4,5-tetrafluorophenyl)propyl]silane
SMILESCC(C)OC(O[SiH2]CCCc1cc(F)c(F)c(F)c1F)OC(C)C
InChIInChI=1S/C16H24F4O3Si/c1-9(2)21-16(22-10(3)4)23-24-7-5-6-11-8-12(17)14(19)15(20)13(11)18/h8-10,16H,5-7,24H2,1-4H3
InChIKeyAEJKOUPXQWYTEY-UHFFFAOYSA-N
MW368.44 g/mol
LogP3.83
Rot. Bonds10

About di(propan-2-yloxy)methoxy-[3-(2,3,4,5-tetrafluorophenyl)propyl]silane

di(propan-2-yloxy)methoxy-[3-(2,3,4,5-tetrafluorophenyl)propyl]silane (PubChem CID 154500746) has the molecular formula C16H24F4O3Si and a molecular weight of 368.44 g/mol. Its IUPAC name is di(propan-2-yloxy)methoxy-[3-(2,3,4,5-tetrafluorophenyl)propyl]silane.

Molecular Properties

Compound Namedi(propan-2-yloxy)methoxy-[3-(2,3,4,5-tetrafluorophenyl)propyl]silane
PubChem CID154500746
Molecular FormulaC16H24F4O3Si
Molecular Weight368.44 g/mol
Exact Mass368.14
IUPAC Namedi(propan-2-yloxy)methoxy-[3-(2,3,4,5-tetrafluorophenyl)propyl]silane
SMILESCC(C)OC(O[SiH2]CCCc1cc(F)c(F)c(F)c1F)OC(C)C
InChIInChI=1S/C16H24F4O3Si/c1-9(2)21-16(22-10(3)4)23-24-7-5-6-11-8-12(17)14(19)15(20)13(11)18/h8-10,16H,5-7,24H2,1-4H3
InChIKeyAEJKOUPXQWYTEY-UHFFFAOYSA-N
XLogP3.83
TPSA27.69 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds10
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500368.44
LogP ≤ 53.83
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'halogenated_ring_1', 'substructure': 'N/A'}, {'alert_name': 'halogenated_ring_2', 'substructure': 'N/A'}, {'alert_name': 'heavy_metal', 'substructure': 'N/A'}, {'alert_name': 'het-C-het_not_in_ring', 'substructure': 'N/A'}

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Related Compounds

di(propan-2-yloxy)methoxy-[5-(2,3,4,5-tetrafluorophenyl)pentyl]silane
CID 154500752
3-(3,5-difluorophenyl)propyl-[di(propan-2-yloxy)methoxy]silane
CID 154500811
CID 90175207
CID 90175207
diethoxymethoxy-[3-(2,4,5-trifluorophenyl)propyl]silane
CID 154500757
CID 90175204
CID 90175204
4-(2,3,4,5-tetrafluorophenyl)butan-1-amine
CID 87970445
di(propan-2-yloxy)methoxy-[4-(2,3,4,5-tetrafluorophenyl)phenyl]silane
CID 154173325
CID 90172645
CID 90172645
dimethoxy-methyl-[4-(2,3,4,5-tetrafluorophenyl)butyl]silane
CID 90171977
CID 90174869
CID 90174869
1-(3,3-difluoropropyl)-2,3,4,5-tetrafluorobenzene
CID 91063618
1-[6-(2-ethoxypropan-2-yl)tetradecyl]-2,3,4,5-tetrafluorobenzene
CID 151419404

Frequently Asked Questions

What is the IUPAC name of di(propan-2-yloxy)methoxy-[3-(2,3,4,5-tetrafluorophenyl)propyl]silane?
The IUPAC name of di(propan-2-yloxy)methoxy-[3-(2,3,4,5-tetrafluorophenyl)propyl]silane (CID 154500746) is di(propan-2-yloxy)methoxy-[3-(2,3,4,5-tetrafluorophenyl)propyl]silane.
What is the SMILES notation for di(propan-2-yloxy)methoxy-[3-(2,3,4,5-tetrafluorophenyl)propyl]silane?
The canonical SMILES for di(propan-2-yloxy)methoxy-[3-(2,3,4,5-tetrafluorophenyl)propyl]silane is CC(C)OC(O[SiH2]CCCc1cc(F)c(F)c(F)c1F)OC(C)C.
What is the InChIKey of di(propan-2-yloxy)methoxy-[3-(2,3,4,5-tetrafluorophenyl)propyl]silane?
The InChIKey is AEJKOUPXQWYTEY-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H24F4O3Si/c1-9(2)21-16(22-10(3)4)23-24-7-5-6-11-8-12(17)14(19)15(20)13(11)18/h8-10,16H,5-7,24H2,1-4H3.
What are the key properties of di(propan-2-yloxy)methoxy-[3-(2,3,4,5-tetrafluorophenyl)propyl]silane?
di(propan-2-yloxy)methoxy-[3-(2,3,4,5-tetrafluorophenyl)propyl]silane has a molecular weight of 368.44 g/mol, XLogP of 3.83, 10 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for di(propan-2-yloxy)methoxy-[3-(2,3,4,5-tetrafluorophenyl)propyl]silane is sourced from PubChem (CID 154500746), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).