(6-bromophenanthren-2-yl)methoxy-tert-butyl-dimethylsilane

C21H25BrOSi — CID 15159140

IUPAC(6-bromophenanthren-2-yl)methoxy-tert-butyl-dimethylsilane
SMILESCC(C)(C)[Si](C)(C)OCc1ccc2c(ccc3ccc(Br)cc32)c1
InChIInChI=1S/C21H25BrOSi/c1-21(2,3)24(4,5)23-14-15-6-11-19-17(12-15)8-7-16-9-10-18(22)13-20(16)19/h6-13H,14H2,1-5H3
InChIKeyLACMZONGVYIDPX-UHFFFAOYSA-N
MW401.42 g/mol
LogP7.28
Rot. Bonds3

About (6-bromophenanthren-2-yl)methoxy-tert-butyl-dimethylsilane

(6-bromophenanthren-2-yl)methoxy-tert-butyl-dimethylsilane (PubChem CID 15159140) has the molecular formula C21H25BrOSi and a molecular weight of 401.42 g/mol. Its IUPAC name is (6-bromophenanthren-2-yl)methoxy-tert-butyl-dimethylsilane.

Molecular Properties

Compound Name(6-bromophenanthren-2-yl)methoxy-tert-butyl-dimethylsilane
PubChem CID15159140
Molecular FormulaC21H25BrOSi
Molecular Weight401.42 g/mol
Exact Mass400.09
IUPAC Name(6-bromophenanthren-2-yl)methoxy-tert-butyl-dimethylsilane
SMILESCC(C)(C)[Si](C)(C)OCc1ccc2c(ccc3ccc(Br)cc32)c1
InChIInChI=1S/C21H25BrOSi/c1-21(2,3)24(4,5)23-14-15-6-11-19-17(12-15)8-7-16-9-10-18(22)13-20(16)19/h6-13H,14H2,1-5H3
InChIKeyLACMZONGVYIDPX-UHFFFAOYSA-N
XLogP7.28
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500401.42
LogP ≤ 57.28
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'heavy_metal', 'substructure': 'N/A'}, {'alert_name': 'Polycyclic_aromatic_hydrocarbon_3', 'substructure': 'N/A'}

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Related Compounds

7-Bromo-2-naphthalenemethanol
CID 22240133
[(4-Bromo-3,5-dimethylphenyl)methoxy](tert-butyl)diphenylsilane
CID 155819690
Triethyl(naphthalen-2-ylmethoxy)silane
CID 10754686
[4-(3-Bromo-5-fluorophenyl)phenyl]methoxy-tert-butyl-dimethylsilane
CID 15661517
[(4'-Bromo-3'-fluorobiphenyl-4-yl)methoxy](tert-butyl)dimethylsilane
CID 68193222
[(4'-Bromo-2'-fluorobiphenyl-4-yl)methoxy](tert-butyl)dimethylsilane
CID 68193256
Silane, diethyldi(2-naphthylmethoxy)-
CID 91717581
Anthracen-9-ylmethoxy(trimethyl)silane
CID 10731475
[2-(2-Methylnaphthalen-1-yl)phenyl]methoxy-tri(propan-2-yl)silane
CID 101566413
1-(2-Bromonaphthalen-1-yl)-2-(4-methylphenyl)ethanol
CID 135015110
1-(1-Bromonaphthalen-2-yl)-2-(4-methylphenyl)ethanol
CID 135015525
1-(1-Bromo-4-methylnaphthalen-2-yl)-2-phenylethanol
CID 135015642

Frequently Asked Questions

What is the IUPAC name of (6-bromophenanthren-2-yl)methoxy-tert-butyl-dimethylsilane?
The IUPAC name of (6-bromophenanthren-2-yl)methoxy-tert-butyl-dimethylsilane (CID 15159140) is (6-bromophenanthren-2-yl)methoxy-tert-butyl-dimethylsilane.
What is the SMILES notation for (6-bromophenanthren-2-yl)methoxy-tert-butyl-dimethylsilane?
The canonical SMILES for (6-bromophenanthren-2-yl)methoxy-tert-butyl-dimethylsilane is CC(C)(C)[Si](C)(C)OCc1ccc2c(ccc3ccc(Br)cc32)c1.
What is the InChIKey of (6-bromophenanthren-2-yl)methoxy-tert-butyl-dimethylsilane?
The InChIKey is LACMZONGVYIDPX-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H25BrOSi/c1-21(2,3)24(4,5)23-14-15-6-11-19-17(12-15)8-7-16-9-10-18(22)13-20(16)19/h6-13H,14H2,1-5H3.
What are the key properties of (6-bromophenanthren-2-yl)methoxy-tert-butyl-dimethylsilane?
(6-bromophenanthren-2-yl)methoxy-tert-butyl-dimethylsilane has a molecular weight of 401.42 g/mol, XLogP of 7.28, 3 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (6-bromophenanthren-2-yl)methoxy-tert-butyl-dimethylsilane is sourced from PubChem (CID 15159140), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).