(2-bromo-6-cyclopenta-2,4-dien-1-ylphenyl)methoxy-tert-butyl-dimethylsilane

C18H25BrOSi — CID 175064128

IUPAC(2-bromo-6-cyclopenta-2,4-dien-1-ylphenyl)methoxy-tert-butyl-dimethylsilane
SMILESCC(C)(C)[Si](C)(C)OCc1c(Br)cccc1C1C=CC=C1
InChIInChI=1S/C18H25BrOSi/c1-18(2,3)21(4,5)20-13-16-15(11-8-12-17(16)19)14-9-6-7-10-14/h6-12,14H,13H2,1-5H3
InChIKeyMZSJXSOGRMLWCC-UHFFFAOYSA-N
MW365.39 g/mol
LogP6.18
Rot. Bonds4

About (2-bromo-6-cyclopenta-2,4-dien-1-ylphenyl)methoxy-tert-butyl-dimethylsilane

(2-bromo-6-cyclopenta-2,4-dien-1-ylphenyl)methoxy-tert-butyl-dimethylsilane (PubChem CID 175064128) has the molecular formula C18H25BrOSi and a molecular weight of 365.39 g/mol. Its IUPAC name is (2-bromo-6-cyclopenta-2,4-dien-1-ylphenyl)methoxy-tert-butyl-dimethylsilane.

Molecular Properties

Compound Name(2-bromo-6-cyclopenta-2,4-dien-1-ylphenyl)methoxy-tert-butyl-dimethylsilane
PubChem CID175064128
Molecular FormulaC18H25BrOSi
Molecular Weight365.39 g/mol
Exact Mass364.09
IUPAC Name(2-bromo-6-cyclopenta-2,4-dien-1-ylphenyl)methoxy-tert-butyl-dimethylsilane
SMILESCC(C)(C)[Si](C)(C)OCc1c(Br)cccc1C1C=CC=C1
InChIInChI=1S/C18H25BrOSi/c1-18(2,3)21(4,5)20-13-16-15(11-8-12-17(16)19)14-9-6-7-10-14/h6-12,14H,13H2,1-5H3
InChIKeyMZSJXSOGRMLWCC-UHFFFAOYSA-N
XLogP6.18
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500365.39
LogP ≤ 56.18
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of (2-bromo-6-cyclopenta-2,4-dien-1-ylphenyl)methoxy-tert-butyl-dimethylsilane?
The IUPAC name of (2-bromo-6-cyclopenta-2,4-dien-1-ylphenyl)methoxy-tert-butyl-dimethylsilane (CID 175064128) is (2-bromo-6-cyclopenta-2,4-dien-1-ylphenyl)methoxy-tert-butyl-dimethylsilane.
What is the SMILES notation for (2-bromo-6-cyclopenta-2,4-dien-1-ylphenyl)methoxy-tert-butyl-dimethylsilane?
The canonical SMILES for (2-bromo-6-cyclopenta-2,4-dien-1-ylphenyl)methoxy-tert-butyl-dimethylsilane is CC(C)(C)[Si](C)(C)OCc1c(Br)cccc1C1C=CC=C1.
What is the InChIKey of (2-bromo-6-cyclopenta-2,4-dien-1-ylphenyl)methoxy-tert-butyl-dimethylsilane?
The InChIKey is MZSJXSOGRMLWCC-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H25BrOSi/c1-18(2,3)21(4,5)20-13-16-15(11-8-12-17(16)19)14-9-6-7-10-14/h6-12,14H,13H2,1-5H3.
What are the key properties of (2-bromo-6-cyclopenta-2,4-dien-1-ylphenyl)methoxy-tert-butyl-dimethylsilane?
(2-bromo-6-cyclopenta-2,4-dien-1-ylphenyl)methoxy-tert-butyl-dimethylsilane has a molecular weight of 365.39 g/mol, XLogP of 6.18, 4 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (2-bromo-6-cyclopenta-2,4-dien-1-ylphenyl)methoxy-tert-butyl-dimethylsilane is sourced from PubChem (CID 175064128), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).