(2-bromooxan-2-yl)silane

C5H11BrOSi — CID 174600222

IUPAC(2-bromooxan-2-yl)silane
SMILES[SiH3]C1(Br)CCCCO1
InChIInChI=1S/C5H11BrOSi/c6-5(8)3-1-2-4-7-5/h1-4H2,8H3
InChIKeyAJCITLNJYXAZND-UHFFFAOYSA-N
MW195.13 g/mol
LogP0.60
Rot. Bonds

About (2-bromooxan-2-yl)silane

(2-bromooxan-2-yl)silane (PubChem CID 174600222) has the molecular formula C5H11BrOSi and a molecular weight of 195.13 g/mol. Its IUPAC name is (2-bromooxan-2-yl)silane.

Molecular Properties

Compound Name(2-bromooxan-2-yl)silane
PubChem CID174600222
Molecular FormulaC5H11BrOSi
Molecular Weight195.13 g/mol
Exact Mass193.98
IUPAC Name(2-bromooxan-2-yl)silane
SMILES[SiH3]C1(Br)CCCCO1
InChIInChI=1S/C5H11BrOSi/c6-5(8)3-1-2-4-7-5/h1-4H2,8H3
InChIKeyAJCITLNJYXAZND-UHFFFAOYSA-N
XLogP0.60
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms8
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500195.13
LogP ≤ 50.60
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-bromooxan-2-yl)silane?
The IUPAC name of (2-bromooxan-2-yl)silane (CID 174600222) is (2-bromooxan-2-yl)silane.
What is the SMILES notation for (2-bromooxan-2-yl)silane?
The canonical SMILES for (2-bromooxan-2-yl)silane is [SiH3]C1(Br)CCCCO1.
What is the InChIKey of (2-bromooxan-2-yl)silane?
The InChIKey is AJCITLNJYXAZND-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H11BrOSi/c6-5(8)3-1-2-4-7-5/h1-4H2,8H3.
What are the key properties of (2-bromooxan-2-yl)silane?
(2-bromooxan-2-yl)silane has a molecular weight of 195.13 g/mol, XLogP of 0.60, 0 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (2-bromooxan-2-yl)silane is sourced from PubChem (CID 174600222), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).