methoxy-di(propan-2-yloxy)-[6-(3,4,5-trifluorophenyl)hexyl]silane

C19H31F3O3Si — CID 90173436

IUPACmethoxy-di(propan-2-yloxy)-[6-(3,4,5-trifluorophenyl)hexyl]silane
SMILESCO[Si](CCCCCCc1cc(F)c(F)c(F)c1)(OC(C)C)OC(C)C
InChIInChI=1S/C19H31F3O3Si/c1-14(2)24-26(23-5,25-15(3)4)11-9-7-6-8-10-16-12-17(20)19(22)18(21)13-16/h12-15H,6-11H2,1-5H3
InChIKeySSVFGZNTHODOAN-UHFFFAOYSA-N
MW392.53 g/mol
LogP5.64
Rot. Bonds12

About methoxy-di(propan-2-yloxy)-[6-(3,4,5-trifluorophenyl)hexyl]silane

methoxy-di(propan-2-yloxy)-[6-(3,4,5-trifluorophenyl)hexyl]silane (PubChem CID 90173436) has the molecular formula C19H31F3O3Si and a molecular weight of 392.53 g/mol. Its IUPAC name is methoxy-di(propan-2-yloxy)-[6-(3,4,5-trifluorophenyl)hexyl]silane.

Molecular Properties

Compound Namemethoxy-di(propan-2-yloxy)-[6-(3,4,5-trifluorophenyl)hexyl]silane
PubChem CID90173436
Molecular FormulaC19H31F3O3Si
Molecular Weight392.53 g/mol
Exact Mass392.20
IUPAC Namemethoxy-di(propan-2-yloxy)-[6-(3,4,5-trifluorophenyl)hexyl]silane
SMILESCO[Si](CCCCCCc1cc(F)c(F)c(F)c1)(OC(C)C)OC(C)C
InChIInChI=1S/C19H31F3O3Si/c1-14(2)24-26(23-5,25-15(3)4)11-9-7-6-8-10-16-12-17(20)19(22)18(21)13-16/h12-15H,6-11H2,1-5H3
InChIKeySSVFGZNTHODOAN-UHFFFAOYSA-N
XLogP5.64
TPSA27.69 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds12
Heavy Atoms26
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500392.53
LogP ≤ 55.64
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_2', 'substructure': 'N/A'}, {'alert_name': 'heavy_metal', 'substructure': 'N/A'}

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Related Compounds

tri(propan-2-yloxy)-[5-(3,4,5-trifluorophenyl)pentyl]silane
CID 90172630
6-(4-fluorophenyl)hexyl-methoxy-di(propan-2-yloxy)silane
CID 90174604
ethoxy-dimethoxy-[5-(3,4,5-trifluorophenyl)pentyl]silane
CID 90174390
6-(2,4-difluorophenyl)hexyl-dimethoxy-propan-2-yloxysilane
CID 90172610
dimethoxy-propan-2-yloxy-[6-[4-(trifluoromethyl)phenyl]hexyl]silane
CID 90175181
5-(2,4-difluorophenyl)pentyl-tri(propan-2-yloxy)silane
CID 90174590
3-[methoxy-di(propan-2-yloxy)silyl]propan-1-amine
CID 140917139
diethoxy-methoxy-[2-(3,4,5-trifluorophenyl)ethyl]silane
CID 90174295
3-[3-iodo-5-[3-tri(propan-2-yloxy)silylpropyl]phenyl]propyl-tri(propan-2-yloxy)silane
CID 102097840
hexadecyl-dimethoxy-propan-2-yloxysilane
CID 154147118
tri(propan-2-yloxy)-[3-(2,4,5-trifluorophenyl)propyl]silane
CID 90171416
trimethoxy(12-phenyldodecyl)silane
CID 54325157

Frequently Asked Questions

What is the IUPAC name of methoxy-di(propan-2-yloxy)-[6-(3,4,5-trifluorophenyl)hexyl]silane?
The IUPAC name of methoxy-di(propan-2-yloxy)-[6-(3,4,5-trifluorophenyl)hexyl]silane (CID 90173436) is methoxy-di(propan-2-yloxy)-[6-(3,4,5-trifluorophenyl)hexyl]silane.
What is the SMILES notation for methoxy-di(propan-2-yloxy)-[6-(3,4,5-trifluorophenyl)hexyl]silane?
The canonical SMILES for methoxy-di(propan-2-yloxy)-[6-(3,4,5-trifluorophenyl)hexyl]silane is CO[Si](CCCCCCc1cc(F)c(F)c(F)c1)(OC(C)C)OC(C)C.
What is the InChIKey of methoxy-di(propan-2-yloxy)-[6-(3,4,5-trifluorophenyl)hexyl]silane?
The InChIKey is SSVFGZNTHODOAN-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H31F3O3Si/c1-14(2)24-26(23-5,25-15(3)4)11-9-7-6-8-10-16-12-17(20)19(22)18(21)13-16/h12-15H,6-11H2,1-5H3.
What are the key properties of methoxy-di(propan-2-yloxy)-[6-(3,4,5-trifluorophenyl)hexyl]silane?
methoxy-di(propan-2-yloxy)-[6-(3,4,5-trifluorophenyl)hexyl]silane has a molecular weight of 392.53 g/mol, XLogP of 5.64, 12 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for methoxy-di(propan-2-yloxy)-[6-(3,4,5-trifluorophenyl)hexyl]silane is sourced from PubChem (CID 90173436), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).