[1-(3-bromopropyl)cyclopropyl]oxy-tert-butyl-dimethylsilane

C12H25BrOSi — CID 18334657

IUPAC[1-(3-bromopropyl)cyclopropyl]oxy-tert-butyl-dimethylsilane
SMILESCC(C)(C)[Si](C)(C)OC1(CCCBr)CC1
InChIInChI=1S/C12H25BrOSi/c1-11(2,3)15(4,5)14-12(8-9-12)7-6-10-13/h6-10H2,1-5H3
InChIKeyVGUOOARMHYBAPR-UHFFFAOYSA-N
MW293.32 g/mol
LogP4.72
Rot. Bonds5

About [1-(3-bromopropyl)cyclopropyl]oxy-tert-butyl-dimethylsilane

[1-(3-bromopropyl)cyclopropyl]oxy-tert-butyl-dimethylsilane (PubChem CID 18334657) has the molecular formula C12H25BrOSi and a molecular weight of 293.32 g/mol. Its IUPAC name is [1-(3-bromopropyl)cyclopropyl]oxy-tert-butyl-dimethylsilane.

Molecular Properties

Compound Name[1-(3-bromopropyl)cyclopropyl]oxy-tert-butyl-dimethylsilane
PubChem CID18334657
Molecular FormulaC12H25BrOSi
Molecular Weight293.32 g/mol
Exact Mass292.09
IUPAC Name[1-(3-bromopropyl)cyclopropyl]oxy-tert-butyl-dimethylsilane
SMILESCC(C)(C)[Si](C)(C)OC1(CCCBr)CC1
InChIInChI=1S/C12H25BrOSi/c1-11(2,3)15(4,5)14-12(8-9-12)7-6-10-13/h6-10H2,1-5H3
InChIKeyVGUOOARMHYBAPR-UHFFFAOYSA-N
XLogP4.72
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds5
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500293.32
LogP ≤ 54.72
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 [1-(3-bromopropyl)cyclopropyl]oxy-tert-butyl-dimethylsilane?
The IUPAC name of [1-(3-bromopropyl)cyclopropyl]oxy-tert-butyl-dimethylsilane (CID 18334657) is [1-(3-bromopropyl)cyclopropyl]oxy-tert-butyl-dimethylsilane.
What is the SMILES notation for [1-(3-bromopropyl)cyclopropyl]oxy-tert-butyl-dimethylsilane?
The canonical SMILES for [1-(3-bromopropyl)cyclopropyl]oxy-tert-butyl-dimethylsilane is CC(C)(C)[Si](C)(C)OC1(CCCBr)CC1.
What is the InChIKey of [1-(3-bromopropyl)cyclopropyl]oxy-tert-butyl-dimethylsilane?
The InChIKey is VGUOOARMHYBAPR-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H25BrOSi/c1-11(2,3)15(4,5)14-12(8-9-12)7-6-10-13/h6-10H2,1-5H3.
What are the key properties of [1-(3-bromopropyl)cyclopropyl]oxy-tert-butyl-dimethylsilane?
[1-(3-bromopropyl)cyclopropyl]oxy-tert-butyl-dimethylsilane has a molecular weight of 293.32 g/mol, XLogP of 4.72, 5 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for [1-(3-bromopropyl)cyclopropyl]oxy-tert-butyl-dimethylsilane is sourced from PubChem (CID 18334657), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).