dihydroxy-methoxy-[6-(2,3,4,5-tetrafluorophenyl)hexyl]silane

C13H18F4O3Si — CID 90175405

IUPACdihydroxy-methoxy-[6-(2,3,4,5-tetrafluorophenyl)hexyl]silane
SMILESCO[Si](O)(O)CCCCCCc1cc(F)c(F)c(F)c1F
InChIInChI=1S/C13H18F4O3Si/c1-20-21(18,19)7-5-3-2-4-6-9-8-10(14)12(16)13(17)11(9)15/h8,18-19H,2-7H2,1H3
InChIKeyOAZLZOSIYZHIKE-UHFFFAOYSA-N
MW326.36 g/mol
LogP2.92
Rot. Bonds8

About dihydroxy-methoxy-[6-(2,3,4,5-tetrafluorophenyl)hexyl]silane

dihydroxy-methoxy-[6-(2,3,4,5-tetrafluorophenyl)hexyl]silane (PubChem CID 90175405) has the molecular formula C13H18F4O3Si and a molecular weight of 326.36 g/mol. Its IUPAC name is dihydroxy-methoxy-[6-(2,3,4,5-tetrafluorophenyl)hexyl]silane.

Molecular Properties

Compound Namedihydroxy-methoxy-[6-(2,3,4,5-tetrafluorophenyl)hexyl]silane
PubChem CID90175405
Molecular FormulaC13H18F4O3Si
Molecular Weight326.36 g/mol
Exact Mass326.10
IUPAC Namedihydroxy-methoxy-[6-(2,3,4,5-tetrafluorophenyl)hexyl]silane
SMILESCO[Si](O)(O)CCCCCCc1cc(F)c(F)c(F)c1F
InChIInChI=1S/C13H18F4O3Si/c1-20-21(18,19)7-5-3-2-4-6-9-8-10(14)12(16)13(17)11(9)15/h8,18-19H,2-7H2,1H3
InChIKeyOAZLZOSIYZHIKE-UHFFFAOYSA-N
XLogP2.92
TPSA49.69 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500326.36
LogP ≤ 52.92
H-Bond Donors ≤ 52
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'}

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Related Compounds

dihydroxy-methoxy-[6-(2,4,5-trifluorophenyl)hexyl]silane
CID 90172605
dimethoxy-methyl-[4-(2,3,4,5-tetrafluorophenyl)butyl]silane
CID 90171977
trihydroxy-[5-(2,3,4,5-tetrafluorophenyl)pentyl]silane
CID 90174029
diethoxy-methyl-[5-(2,3,4,5-tetrafluorophenyl)pentyl]silane
CID 90173067
dihydroxy-methoxy-[6-(2,4,6-trifluorophenyl)hexyl]silane
CID 90170374
5-(3,5-difluorophenyl)pentyl-dihydroxy-methoxysilane
CID 90175060
ethoxy-dimethoxy-[3-(2,3,4,5-tetrafluorophenyl)propyl]silane
CID 90171128
4-(2,3,4,5-tetrafluorophenyl)butan-1-amine
CID 87970445
trihydroxy-[5-(2,4,5-trifluorophenyl)pentyl]silane
CID 90174504
2-(2,3,4,5-tetrafluorophenyl)ethanol
CID 55267980
2-(2,4-difluorophenyl)ethyl-dihydroxy-methoxysilane
CID 90170768
di(propan-2-yloxy)methoxy-[5-(2,3,4,5-tetrafluorophenyl)pentyl]silane
CID 154500752

Frequently Asked Questions

What is the IUPAC name of dihydroxy-methoxy-[6-(2,3,4,5-tetrafluorophenyl)hexyl]silane?
The IUPAC name of dihydroxy-methoxy-[6-(2,3,4,5-tetrafluorophenyl)hexyl]silane (CID 90175405) is dihydroxy-methoxy-[6-(2,3,4,5-tetrafluorophenyl)hexyl]silane.
What is the SMILES notation for dihydroxy-methoxy-[6-(2,3,4,5-tetrafluorophenyl)hexyl]silane?
The canonical SMILES for dihydroxy-methoxy-[6-(2,3,4,5-tetrafluorophenyl)hexyl]silane is CO[Si](O)(O)CCCCCCc1cc(F)c(F)c(F)c1F.
What is the InChIKey of dihydroxy-methoxy-[6-(2,3,4,5-tetrafluorophenyl)hexyl]silane?
The InChIKey is OAZLZOSIYZHIKE-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H18F4O3Si/c1-20-21(18,19)7-5-3-2-4-6-9-8-10(14)12(16)13(17)11(9)15/h8,18-19H,2-7H2,1H3.
What are the key properties of dihydroxy-methoxy-[6-(2,3,4,5-tetrafluorophenyl)hexyl]silane?
dihydroxy-methoxy-[6-(2,3,4,5-tetrafluorophenyl)hexyl]silane has a molecular weight of 326.36 g/mol, XLogP of 2.92, 8 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for dihydroxy-methoxy-[6-(2,3,4,5-tetrafluorophenyl)hexyl]silane is sourced from PubChem (CID 90175405), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).