(3-bromophenanthren-9-yl)methoxy-tert-butyl-dimethylsilane

C21H25BrOSi — CID 15159130

IUPAC(3-bromophenanthren-9-yl)methoxy-tert-butyl-dimethylsilane
SMILESCC(C)(C)[Si](C)(C)OCc1cc2ccc(Br)cc2c2ccccc12
InChIInChI=1S/C21H25BrOSi/c1-21(2,3)24(4,5)23-14-16-12-15-10-11-17(22)13-20(15)19-9-7-6-8-18(16)19/h6-13H,14H2,1-5H3
InChIKeyLQBQZKYDVCWZQB-UHFFFAOYSA-N
MW401.42 g/mol
LogP7.28
Rot. Bonds3

About (3-bromophenanthren-9-yl)methoxy-tert-butyl-dimethylsilane

(3-bromophenanthren-9-yl)methoxy-tert-butyl-dimethylsilane (PubChem CID 15159130) has the molecular formula C21H25BrOSi and a molecular weight of 401.42 g/mol. Its IUPAC name is (3-bromophenanthren-9-yl)methoxy-tert-butyl-dimethylsilane.

Molecular Properties

Compound Name(3-bromophenanthren-9-yl)methoxy-tert-butyl-dimethylsilane
PubChem CID15159130
Molecular FormulaC21H25BrOSi
Molecular Weight401.42 g/mol
Exact Mass400.09
IUPAC Name(3-bromophenanthren-9-yl)methoxy-tert-butyl-dimethylsilane
SMILESCC(C)(C)[Si](C)(C)OCc1cc2ccc(Br)cc2c2ccccc12
InChIInChI=1S/C21H25BrOSi/c1-21(2,3)24(4,5)23-14-16-12-15-10-11-17(22)13-20(15)19-9-7-6-8-18(16)19/h6-13H,14H2,1-5H3
InChIKeyLQBQZKYDVCWZQB-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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Frequently Asked Questions

What is the IUPAC name of (3-bromophenanthren-9-yl)methoxy-tert-butyl-dimethylsilane?
The IUPAC name of (3-bromophenanthren-9-yl)methoxy-tert-butyl-dimethylsilane (CID 15159130) is (3-bromophenanthren-9-yl)methoxy-tert-butyl-dimethylsilane.
What is the SMILES notation for (3-bromophenanthren-9-yl)methoxy-tert-butyl-dimethylsilane?
The canonical SMILES for (3-bromophenanthren-9-yl)methoxy-tert-butyl-dimethylsilane is CC(C)(C)[Si](C)(C)OCc1cc2ccc(Br)cc2c2ccccc12.
What is the InChIKey of (3-bromophenanthren-9-yl)methoxy-tert-butyl-dimethylsilane?
The InChIKey is LQBQZKYDVCWZQB-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H25BrOSi/c1-21(2,3)24(4,5)23-14-16-12-15-10-11-17(22)13-20(15)19-9-7-6-8-18(16)19/h6-13H,14H2,1-5H3.
What are the key properties of (3-bromophenanthren-9-yl)methoxy-tert-butyl-dimethylsilane?
(3-bromophenanthren-9-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 (3-bromophenanthren-9-yl)methoxy-tert-butyl-dimethylsilane is sourced from PubChem (CID 15159130), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).