[1-(3-bromopropyl)cyclopropyl]oxy-trimethylsilane

C9H19BrOSi — CID 19766124

IUPAC[1-(3-bromopropyl)cyclopropyl]oxy-trimethylsilane
SMILESC[Si](C)(C)OC1(CCCBr)CC1
InChIInChI=1S/C9H19BrOSi/c1-12(2,3)11-9(6-7-9)5-4-8-10/h4-8H2,1-3H3
InChIKeyOZTQVVCURKCHDZ-UHFFFAOYSA-N
MW251.24 g/mol
LogP3.55
Rot. Bonds5

About [1-(3-bromopropyl)cyclopropyl]oxy-trimethylsilane

[1-(3-bromopropyl)cyclopropyl]oxy-trimethylsilane (PubChem CID 19766124) has the molecular formula C9H19BrOSi and a molecular weight of 251.24 g/mol. Its IUPAC name is [1-(3-bromopropyl)cyclopropyl]oxy-trimethylsilane.

Molecular Properties

Compound Name[1-(3-bromopropyl)cyclopropyl]oxy-trimethylsilane
PubChem CID19766124
Molecular FormulaC9H19BrOSi
Molecular Weight251.24 g/mol
Exact Mass250.04
IUPAC Name[1-(3-bromopropyl)cyclopropyl]oxy-trimethylsilane
SMILESC[Si](C)(C)OC1(CCCBr)CC1
InChIInChI=1S/C9H19BrOSi/c1-12(2,3)11-9(6-7-9)5-4-8-10/h4-8H2,1-3H3
InChIKeyOZTQVVCURKCHDZ-UHFFFAOYSA-N
XLogP3.55
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds5
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500251.24
LogP ≤ 53.55
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-trimethylsilane?
The IUPAC name of [1-(3-bromopropyl)cyclopropyl]oxy-trimethylsilane (CID 19766124) is [1-(3-bromopropyl)cyclopropyl]oxy-trimethylsilane.
What is the SMILES notation for [1-(3-bromopropyl)cyclopropyl]oxy-trimethylsilane?
The canonical SMILES for [1-(3-bromopropyl)cyclopropyl]oxy-trimethylsilane is C[Si](C)(C)OC1(CCCBr)CC1.
What is the InChIKey of [1-(3-bromopropyl)cyclopropyl]oxy-trimethylsilane?
The InChIKey is OZTQVVCURKCHDZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H19BrOSi/c1-12(2,3)11-9(6-7-9)5-4-8-10/h4-8H2,1-3H3.
What are the key properties of [1-(3-bromopropyl)cyclopropyl]oxy-trimethylsilane?
[1-(3-bromopropyl)cyclopropyl]oxy-trimethylsilane has a molecular weight of 251.24 g/mol, XLogP of 3.55, 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-trimethylsilane is sourced from PubChem (CID 19766124), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).