[3-[(Z)-6-[tert-butyl(diphenyl)silyl]oxy-4-methylhex-4-enyl]naphthalen-2-yl] trifluoromethanesulfonate

C34H37F3O4SSi — CID 11006681

IUPAC[3-[(Z)-6-[tert-butyl(diphenyl)silyl]oxy-4-methylhex-4-enyl]naphthalen-2-yl] trifluoromethanesulfonate
SMILESC/C(=C/CO[Si](c1ccccc1)(c1ccccc1)C(C)(C)C)CCCc1cc2ccccc2cc1OS(=O)(=O)C(F)(F)F
InChIInChI=1S/C34H37F3O4SSi/c1-26(22-23-40-43(33(2,3)4,30-18-7-5-8-19-30)31-20-9-6-10-21-31)14-13-17-29-24-27-15-11-12-16-28(27)25-32(29)41-42(38,39)34(35,36)37/h5-12,15-16,18-22,24-25H,13-14,17,23H2,1-4H3/b26-22-
InChIKeyUFRWTXXSFLFYKC-ROMGYVFFSA-N
MW626.81 g/mol
LogP7.91
Rot. Bonds11

About [3-[(Z)-6-[tert-butyl(diphenyl)silyl]oxy-4-methylhex-4-enyl]naphthalen-2-yl] trifluoromethanesulfonate

[3-[(Z)-6-[tert-butyl(diphenyl)silyl]oxy-4-methylhex-4-enyl]naphthalen-2-yl] trifluoromethanesulfonate (PubChem CID 11006681) has the molecular formula C34H37F3O4SSi and a molecular weight of 626.81 g/mol. Its IUPAC name is [3-[(Z)-6-[tert-butyl(diphenyl)silyl]oxy-4-methylhex-4-enyl]naphthalen-2-yl] trifluoromethanesulfonate.

Molecular Properties

Compound Name[3-[(Z)-6-[tert-butyl(diphenyl)silyl]oxy-4-methylhex-4-enyl]naphthalen-2-yl] trifluoromethanesulfonate
PubChem CID11006681
Molecular FormulaC34H37F3O4SSi
Molecular Weight626.81 g/mol
Exact Mass626.21
IUPAC Name[3-[(Z)-6-[tert-butyl(diphenyl)silyl]oxy-4-methylhex-4-enyl]naphthalen-2-yl] trifluoromethanesulfonate
SMILESC/C(=C/CO[Si](c1ccccc1)(c1ccccc1)C(C)(C)C)CCCc1cc2ccccc2cc1OS(=O)(=O)C(F)(F)F
InChIInChI=1S/C34H37F3O4SSi/c1-26(22-23-40-43(33(2,3)4,30-18-7-5-8-19-30)31-20-9-6-10-21-31)14-13-17-29-24-27-15-11-12-16-28(27)25-32(29)41-42(38,39)34(35,36)37/h5-12,15-16,18-22,24-25H,13-14,17,23H2,1-4H3/b26-22-
InChIKeyUFRWTXXSFLFYKC-ROMGYVFFSA-N
XLogP7.91
TPSA52.60 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds11
Heavy Atoms43
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500626.81
LogP ≤ 57.91
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'heavy_metal', 'substructure': 'N/A'}, {'alert_name': 'isolated_alkene', 'substructure': 'N/A'}, {'alert_name': 'Sulfonic_acid_1', 'substructure': 'N/A'}, {'alert_name': 'triflate', 'substructure': 'N/A'}

Analyze [3-[(Z)-6-[tert-butyl(diphenyl)silyl]oxy-4-methylhex-4-enyl]naphthalen-2-yl] trifluoromethanesulfonate with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

(S)-(+)-1,1'-Bi-2-naphthol bis(trifluoromethanesulfonate)
CID 389883
2'-Diphenylphosphinyl-2-trifluoromethanesulfonyloxy-1,1'-binaphthyl
CID 10438576
2-(1-Naphthyl)-1,1'-biphenyl-3-ol trifluoromethanesulfonate
CID 10982848
Phenanthren-9-yl trifluoromethanesulfonate
CID 14174947
(R)-(-)-1,1'-Bi-2-naphthyl dimethanesulfonate
CID 15258354
Anthracene-2,6-diyl Bis(trifluoromethanesulfonate)
CID 57587335
[3,5-Dimethyl-2-(2-methylnaphthalen-1-yl)phenyl] trifluoromethanesulfonate
CID 23243239
[4-[11-[4-(Trifluoromethylsulfonyloxy)phenyl]-5-tricyclo[8.2.2.24,7]hexadeca-1(12),4,6,10,13,15-hexaenyl]phenyl] trifluoromethanesulfonate
CID 71813894
Trifluoromethanesulfonic acid 1,1'-binaphthalen-8-yl ester
CID 10092492
[1-[2-(Trifluoromethylsulfonyloxy)-5,6,7,8-tetrahydronaphthalen-1-yl]-5,6,7,8-tetrahydronaphthalen-2-yl] trifluoromethanesulfonate
CID 10940685
Trifluoromethanesulfonic acid 1-anthryl ester
CID 11232623
(aR)-2'-(Trifluoromethylsulfonyloxy)-1,1'-binaphthalene-2-ol
CID 11668881

Frequently Asked Questions

What is the IUPAC name of [3-[(Z)-6-[tert-butyl(diphenyl)silyl]oxy-4-methylhex-4-enyl]naphthalen-2-yl] trifluoromethanesulfonate?
The IUPAC name of [3-[(Z)-6-[tert-butyl(diphenyl)silyl]oxy-4-methylhex-4-enyl]naphthalen-2-yl] trifluoromethanesulfonate (CID 11006681) is [3-[(Z)-6-[tert-butyl(diphenyl)silyl]oxy-4-methylhex-4-enyl]naphthalen-2-yl] trifluoromethanesulfonate.
What is the SMILES notation for [3-[(Z)-6-[tert-butyl(diphenyl)silyl]oxy-4-methylhex-4-enyl]naphthalen-2-yl] trifluoromethanesulfonate?
The canonical SMILES for [3-[(Z)-6-[tert-butyl(diphenyl)silyl]oxy-4-methylhex-4-enyl]naphthalen-2-yl] trifluoromethanesulfonate is C/C(=C/CO[Si](c1ccccc1)(c1ccccc1)C(C)(C)C)CCCc1cc2ccccc2cc1OS(=O)(=O)C(F)(F)F.
What is the InChIKey of [3-[(Z)-6-[tert-butyl(diphenyl)silyl]oxy-4-methylhex-4-enyl]naphthalen-2-yl] trifluoromethanesulfonate?
The InChIKey is UFRWTXXSFLFYKC-ROMGYVFFSA-N. The full InChI is InChI=1S/C34H37F3O4SSi/c1-26(22-23-40-43(33(2,3)4,30-18-7-5-8-19-30)31-20-9-6-10-21-31)14-13-17-29-24-27-15-11-12-16-28(27)25-32(29)41-42(38,39)34(35,36)37/h5-12,15-16,18-22,24-25H,13-14,17,23H2,1-4H3/b26-22-.
What are the key properties of [3-[(Z)-6-[tert-butyl(diphenyl)silyl]oxy-4-methylhex-4-enyl]naphthalen-2-yl] trifluoromethanesulfonate?
[3-[(Z)-6-[tert-butyl(diphenyl)silyl]oxy-4-methylhex-4-enyl]naphthalen-2-yl] trifluoromethanesulfonate has a molecular weight of 626.81 g/mol, XLogP of 7.91, 11 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [3-[(Z)-6-[tert-butyl(diphenyl)silyl]oxy-4-methylhex-4-enyl]naphthalen-2-yl] trifluoromethanesulfonate is sourced from PubChem (CID 11006681), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).