trimethyl-[(1S)-2,2,2-trifluoro-1-[1-[2,4,6-tri(propan-2-yl)phenyl]sulfinylnaphthalen-2-yl]ethoxy]silane

C30H39F3O2SSi — CID 101389355

IUPACtrimethyl-[(1S)-2,2,2-trifluoro-1-[1-[2,4,6-tri(propan-2-yl)phenyl]sulfinylnaphthalen-2-yl]ethoxy]silane
SMILESCC(C)c1cc(C(C)C)c(S(=O)c2c([C@H](O[Si](C)(C)C)C(F)(F)F)ccc3ccccc23)c(C(C)C)c1
InChIInChI=1S/C30H39F3O2SSi/c1-18(2)22-16-25(19(3)4)28(26(17-22)20(5)6)36(34)27-23-13-11-10-12-21(23)14-15-24(27)29(30(31,32)33)35-37(7,8)9/h10-20,29H,1-9H3/t29-,36?/m0/s1
InChIKeyNBEPRDHNOARGNE-FIMWSPJOSA-N
MW548.79 g/mol
LogP9.83
Rot. Bonds8

About trimethyl-[(1S)-2,2,2-trifluoro-1-[1-[2,4,6-tri(propan-2-yl)phenyl]sulfinylnaphthalen-2-yl]ethoxy]silane

trimethyl-[(1S)-2,2,2-trifluoro-1-[1-[2,4,6-tri(propan-2-yl)phenyl]sulfinylnaphthalen-2-yl]ethoxy]silane (PubChem CID 101389355) has the molecular formula C30H39F3O2SSi and a molecular weight of 548.79 g/mol. Its IUPAC name is trimethyl-[(1S)-2,2,2-trifluoro-1-[1-[2,4,6-tri(propan-2-yl)phenyl]sulfinylnaphthalen-2-yl]ethoxy]silane.

Molecular Properties

Compound Nametrimethyl-[(1S)-2,2,2-trifluoro-1-[1-[2,4,6-tri(propan-2-yl)phenyl]sulfinylnaphthalen-2-yl]ethoxy]silane
PubChem CID101389355
Molecular FormulaC30H39F3O2SSi
Molecular Weight548.79 g/mol
Exact Mass548.24
IUPAC Nametrimethyl-[(1S)-2,2,2-trifluoro-1-[1-[2,4,6-tri(propan-2-yl)phenyl]sulfinylnaphthalen-2-yl]ethoxy]silane
SMILESCC(C)c1cc(C(C)C)c(S(=O)c2c([C@H](O[Si](C)(C)C)C(F)(F)F)ccc3ccccc23)c(C(C)C)c1
InChIInChI=1S/C30H39F3O2SSi/c1-18(2)22-16-25(19(3)4)28(26(17-22)20(5)6)36(34)27-23-13-11-10-12-21(23)14-15-24(27)29(30(31,32)33)35-37(7,8)9/h10-20,29H,1-9H3/t29-,36?/m0/s1
InChIKeyNBEPRDHNOARGNE-FIMWSPJOSA-N
XLogP9.83
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds8
Heavy Atoms37
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500548.79
LogP ≤ 59.83
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

(1R)-2,2,2-trifluoro-1-[1-[2,4,6-tri(propan-2-yl)phenyl]sulfinylnaphthalen-2-yl]ethanol
CID 101389360
4-methoxy-N-[(1S)-1-[1-[(R)-[2,4,6-tri(propan-2-yl)phenyl]sulfinyl]naphthalen-2-yl]ethyl]aniline
CID 11226302
N-phenyl-1-[1-[2,4,6-tri(propan-2-yl)phenyl]sulfinylnaphthalen-2-yl]methanimine
CID 101191380
trimethyl-(2,2,2-trifluoro-1-phenylethoxy)silane
CID 11218868
2-propan-2-yl-1-(3-propan-2-ylnaphthalen-1-yl)naphthalene
CID 147001683
bis(1,3-di(propan-2-yl)naphthalene);1,4-di(propan-2-yl)naphthalene;2,6-di(propan-2-yl)naphthalene;2,7-di(propan-2-yl)naphthalene
CID 161209991
naphthalen-2-yloxy-[2-[2-naphthalen-2-yloxyphosphanyloxy-3,5-di(propan-2-yl)phenyl]-4,6-di(propan-2-yl)phenoxy]phosphane
CID 21130809
(1,2-dinaphthalen-2-yl-2-trimethylsilyloxyethoxy)-trimethylsilane
CID 10575884
S-tert-butyl (3S)-3-hydroxy-3-[1-(2,4,6-trimethylphenyl)sulfinylnaphthalen-2-yl]propanethioate
CID 101085141
3-[2-[(1R)-1-aminoethyl]naphthalen-1-yl]oxy-1,1,1-trifluoropropan-2-ol
CID 78954047
(NE,R)-N-benzylidene-2,4,6-tri(propan-2-yl)benzenesulfinamide
CID 46177609
N-(2-fluorophenyl)-2,4,6-tri(propan-2-yl)benzenesulfinamide
CID 135269427

Frequently Asked Questions

What is the IUPAC name of trimethyl-[(1S)-2,2,2-trifluoro-1-[1-[2,4,6-tri(propan-2-yl)phenyl]sulfinylnaphthalen-2-yl]ethoxy]silane?
The IUPAC name of trimethyl-[(1S)-2,2,2-trifluoro-1-[1-[2,4,6-tri(propan-2-yl)phenyl]sulfinylnaphthalen-2-yl]ethoxy]silane (CID 101389355) is trimethyl-[(1S)-2,2,2-trifluoro-1-[1-[2,4,6-tri(propan-2-yl)phenyl]sulfinylnaphthalen-2-yl]ethoxy]silane.
What is the SMILES notation for trimethyl-[(1S)-2,2,2-trifluoro-1-[1-[2,4,6-tri(propan-2-yl)phenyl]sulfinylnaphthalen-2-yl]ethoxy]silane?
The canonical SMILES for trimethyl-[(1S)-2,2,2-trifluoro-1-[1-[2,4,6-tri(propan-2-yl)phenyl]sulfinylnaphthalen-2-yl]ethoxy]silane is CC(C)c1cc(C(C)C)c(S(=O)c2c([C@H](O[Si](C)(C)C)C(F)(F)F)ccc3ccccc23)c(C(C)C)c1.
What is the InChIKey of trimethyl-[(1S)-2,2,2-trifluoro-1-[1-[2,4,6-tri(propan-2-yl)phenyl]sulfinylnaphthalen-2-yl]ethoxy]silane?
The InChIKey is NBEPRDHNOARGNE-FIMWSPJOSA-N. The full InChI is InChI=1S/C30H39F3O2SSi/c1-18(2)22-16-25(19(3)4)28(26(17-22)20(5)6)36(34)27-23-13-11-10-12-21(23)14-15-24(27)29(30(31,32)33)35-37(7,8)9/h10-20,29H,1-9H3/t29-,36?/m0/s1.
What are the key properties of trimethyl-[(1S)-2,2,2-trifluoro-1-[1-[2,4,6-tri(propan-2-yl)phenyl]sulfinylnaphthalen-2-yl]ethoxy]silane?
trimethyl-[(1S)-2,2,2-trifluoro-1-[1-[2,4,6-tri(propan-2-yl)phenyl]sulfinylnaphthalen-2-yl]ethoxy]silane has a molecular weight of 548.79 g/mol, XLogP of 9.83, 8 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for trimethyl-[(1S)-2,2,2-trifluoro-1-[1-[2,4,6-tri(propan-2-yl)phenyl]sulfinylnaphthalen-2-yl]ethoxy]silane is sourced from PubChem (CID 101389355), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).