2-[4-(3-bromopropyl)phenyl]ethoxy-(2,3-dimethylbutan-2-yl)-dimethylsilane

C19H33BrOSi — CID 14257863

IUPAC2-[4-(3-bromopropyl)phenyl]ethoxy-(2,3-dimethylbutan-2-yl)-dimethylsilane
SMILESCC(C)C(C)(C)[Si](C)(C)OCCc1ccc(CCCBr)cc1
InChIInChI=1S/C19H33BrOSi/c1-16(2)19(3,4)22(5,6)21-15-13-18-11-9-17(10-12-18)8-7-14-20/h9-12,16H,7-8,13-15H2,1-6H3
InChIKeyCVXCUVIZDIKBRZ-UHFFFAOYSA-N
MW385.46 g/mol
LogP6.21
Rot. Bonds9

About 2-[4-(3-bromopropyl)phenyl]ethoxy-(2,3-dimethylbutan-2-yl)-dimethylsilane

2-[4-(3-bromopropyl)phenyl]ethoxy-(2,3-dimethylbutan-2-yl)-dimethylsilane (PubChem CID 14257863) has the molecular formula C19H33BrOSi and a molecular weight of 385.46 g/mol. Its IUPAC name is 2-[4-(3-bromopropyl)phenyl]ethoxy-(2,3-dimethylbutan-2-yl)-dimethylsilane.

Molecular Properties

Compound Name2-[4-(3-bromopropyl)phenyl]ethoxy-(2,3-dimethylbutan-2-yl)-dimethylsilane
PubChem CID14257863
Molecular FormulaC19H33BrOSi
Molecular Weight385.46 g/mol
Exact Mass384.15
IUPAC Name2-[4-(3-bromopropyl)phenyl]ethoxy-(2,3-dimethylbutan-2-yl)-dimethylsilane
SMILESCC(C)C(C)(C)[Si](C)(C)OCCc1ccc(CCCBr)cc1
InChIInChI=1S/C19H33BrOSi/c1-16(2)19(3,4)22(5,6)21-15-13-18-11-9-17(10-12-18)8-7-14-20/h9-12,16H,7-8,13-15H2,1-6H3
InChIKeyCVXCUVIZDIKBRZ-UHFFFAOYSA-N
XLogP6.21
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds9
Heavy Atoms22
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500385.46
LogP ≤ 56.21
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 2-[4-(3-bromopropyl)phenyl]ethoxy-(2,3-dimethylbutan-2-yl)-dimethylsilane?
The IUPAC name of 2-[4-(3-bromopropyl)phenyl]ethoxy-(2,3-dimethylbutan-2-yl)-dimethylsilane (CID 14257863) is 2-[4-(3-bromopropyl)phenyl]ethoxy-(2,3-dimethylbutan-2-yl)-dimethylsilane.
What is the SMILES notation for 2-[4-(3-bromopropyl)phenyl]ethoxy-(2,3-dimethylbutan-2-yl)-dimethylsilane?
The canonical SMILES for 2-[4-(3-bromopropyl)phenyl]ethoxy-(2,3-dimethylbutan-2-yl)-dimethylsilane is CC(C)C(C)(C)[Si](C)(C)OCCc1ccc(CCCBr)cc1.
What is the InChIKey of 2-[4-(3-bromopropyl)phenyl]ethoxy-(2,3-dimethylbutan-2-yl)-dimethylsilane?
The InChIKey is CVXCUVIZDIKBRZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H33BrOSi/c1-16(2)19(3,4)22(5,6)21-15-13-18-11-9-17(10-12-18)8-7-14-20/h9-12,16H,7-8,13-15H2,1-6H3.
What are the key properties of 2-[4-(3-bromopropyl)phenyl]ethoxy-(2,3-dimethylbutan-2-yl)-dimethylsilane?
2-[4-(3-bromopropyl)phenyl]ethoxy-(2,3-dimethylbutan-2-yl)-dimethylsilane has a molecular weight of 385.46 g/mol, XLogP of 6.21, 9 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-(3-bromopropyl)phenyl]ethoxy-(2,3-dimethylbutan-2-yl)-dimethylsilane is sourced from PubChem (CID 14257863), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).