tert-butyl-[[3-(2,2-dimethylcyclohexyl)-4-(2-fluoro-5-methylphenyl)phenyl]methoxy]-dimethylsilane

C28H41FOSi — CID 58380274

IUPACtert-butyl-[[3-(2,2-dimethylcyclohexyl)-4-(2-fluoro-5-methylphenyl)phenyl]methoxy]-dimethylsilane
SMILESCc1ccc(F)c(-c2ccc(CO[Si](C)(C)C(C)(C)C)cc2C2CCCCC2(C)C)c1
InChIInChI=1S/C28H41FOSi/c1-20-12-15-26(29)24(17-20)22-14-13-21(19-30-31(7,8)27(2,3)4)18-23(22)25-11-9-10-16-28(25,5)6/h12-15,17-18,25H,9-11,16,19H2,1-8H3
InChIKeyZEWMVJVRERUBRV-UHFFFAOYSA-N
MW440.72 g/mol
LogP9.01
Rot. Bonds5

About tert-butyl-[[3-(2,2-dimethylcyclohexyl)-4-(2-fluoro-5-methylphenyl)phenyl]methoxy]-dimethylsilane

tert-butyl-[[3-(2,2-dimethylcyclohexyl)-4-(2-fluoro-5-methylphenyl)phenyl]methoxy]-dimethylsilane (PubChem CID 58380274) has the molecular formula C28H41FOSi and a molecular weight of 440.72 g/mol. Its IUPAC name is tert-butyl-[[3-(2,2-dimethylcyclohexyl)-4-(2-fluoro-5-methylphenyl)phenyl]methoxy]-dimethylsilane.

Molecular Properties

Compound Nametert-butyl-[[3-(2,2-dimethylcyclohexyl)-4-(2-fluoro-5-methylphenyl)phenyl]methoxy]-dimethylsilane
PubChem CID58380274
Molecular FormulaC28H41FOSi
Molecular Weight440.72 g/mol
Exact Mass440.29
IUPAC Nametert-butyl-[[3-(2,2-dimethylcyclohexyl)-4-(2-fluoro-5-methylphenyl)phenyl]methoxy]-dimethylsilane
SMILESCc1ccc(F)c(-c2ccc(CO[Si](C)(C)C(C)(C)C)cc2C2CCCCC2(C)C)c1
InChIInChI=1S/C28H41FOSi/c1-20-12-15-26(29)24(17-20)22-14-13-21(19-30-31(7,8)27(2,3)4)18-23(22)25-11-9-10-16-28(25,5)6/h12-15,17-18,25H,9-11,16,19H2,1-8H3
InChIKeyZEWMVJVRERUBRV-UHFFFAOYSA-N
XLogP9.01
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds5
Heavy Atoms31
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500440.72
LogP ≤ 59.01
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

[4-Tert-butyl-2-(4-fluorophenyl)-6-propan-2-ylphenyl]methanol
CID 15015051
(2-Methylphenyl)methanol, dimethylpentafluorophenylsilyl ether
CID 91703256
[2-(2,3-Difluorophenyl)phenyl]methoxy-tri(propan-2-yl)silane
CID 102075218
Tert-butyl-dimethyl-[[10-[2-(trifluoromethyl)phenyl]phenanthren-9-yl]methoxy]silane
CID 135013139
Tert-butyl-[[4-[1-(4-fluorophenyl)ethyl]phenyl]methoxy]-dimethylsilane
CID 154714421
Triethyl(naphthalen-2-ylmethoxy)silane
CID 10754686
Tert-butyl-dimethyl-[(4-phenylphenyl)methoxy]silane
CID 11738087
Trimethyl(naphthalen-2-ylmethoxy)silane
CID 15535831
3,3-Dimethyl-1-[4-(trifluoromethyl)phenyl]-1,4-dihydro-2,3-benzoxasiline
CID 11616764
[8-[tert-butyl(dimethyl)silyl]oxy-1-(4-fluorophenyl)-6,6-dimethyl-3-propan-2-yl-7,8-dihydro-5H-naphthalen-2-yl]methanol
CID 11102526
3,3,4,4,5,5,6,6,7,7,8,8,9,9,10,10,10-heptadecafluorodecyl-[(1S)-1-naphthalen-2-ylethoxy]-di(propan-2-yl)silane
CID 11239574
[2-(4-Fluorophenyl)-4-phenyl-6-propan-2-ylphenyl]methanol
CID 15015056

Frequently Asked Questions

What is the IUPAC name of tert-butyl-[[3-(2,2-dimethylcyclohexyl)-4-(2-fluoro-5-methylphenyl)phenyl]methoxy]-dimethylsilane?
The IUPAC name of tert-butyl-[[3-(2,2-dimethylcyclohexyl)-4-(2-fluoro-5-methylphenyl)phenyl]methoxy]-dimethylsilane (CID 58380274) is tert-butyl-[[3-(2,2-dimethylcyclohexyl)-4-(2-fluoro-5-methylphenyl)phenyl]methoxy]-dimethylsilane.
What is the SMILES notation for tert-butyl-[[3-(2,2-dimethylcyclohexyl)-4-(2-fluoro-5-methylphenyl)phenyl]methoxy]-dimethylsilane?
The canonical SMILES for tert-butyl-[[3-(2,2-dimethylcyclohexyl)-4-(2-fluoro-5-methylphenyl)phenyl]methoxy]-dimethylsilane is Cc1ccc(F)c(-c2ccc(CO[Si](C)(C)C(C)(C)C)cc2C2CCCCC2(C)C)c1.
What is the InChIKey of tert-butyl-[[3-(2,2-dimethylcyclohexyl)-4-(2-fluoro-5-methylphenyl)phenyl]methoxy]-dimethylsilane?
The InChIKey is ZEWMVJVRERUBRV-UHFFFAOYSA-N. The full InChI is InChI=1S/C28H41FOSi/c1-20-12-15-26(29)24(17-20)22-14-13-21(19-30-31(7,8)27(2,3)4)18-23(22)25-11-9-10-16-28(25,5)6/h12-15,17-18,25H,9-11,16,19H2,1-8H3.
What are the key properties of tert-butyl-[[3-(2,2-dimethylcyclohexyl)-4-(2-fluoro-5-methylphenyl)phenyl]methoxy]-dimethylsilane?
tert-butyl-[[3-(2,2-dimethylcyclohexyl)-4-(2-fluoro-5-methylphenyl)phenyl]methoxy]-dimethylsilane has a molecular weight of 440.72 g/mol, XLogP of 9.01, 5 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl-[[3-(2,2-dimethylcyclohexyl)-4-(2-fluoro-5-methylphenyl)phenyl]methoxy]-dimethylsilane is sourced from PubChem (CID 58380274), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).