[3-(bromomethyl)cyclohex-2-en-1-yl]oxy-tert-butyl-dimethylsilane

C13H25BrOSi — CID 59262414

IUPAC[3-(bromomethyl)cyclohex-2-en-1-yl]oxy-tert-butyl-dimethylsilane
SMILESCC(C)(C)[Si](C)(C)OC1C=C(CBr)CCC1
InChIInChI=1S/C13H25BrOSi/c1-13(2,3)16(4,5)15-12-8-6-7-11(9-12)10-14/h9,12H,6-8,10H2,1-5H3
InChIKeyACXHCYGEYSIDSP-UHFFFAOYSA-N
MW305.33 g/mol
LogP4.88
Rot. Bonds3

About [3-(bromomethyl)cyclohex-2-en-1-yl]oxy-tert-butyl-dimethylsilane

[3-(bromomethyl)cyclohex-2-en-1-yl]oxy-tert-butyl-dimethylsilane (PubChem CID 59262414) has the molecular formula C13H25BrOSi and a molecular weight of 305.33 g/mol. Its IUPAC name is [3-(bromomethyl)cyclohex-2-en-1-yl]oxy-tert-butyl-dimethylsilane.

Molecular Properties

Compound Name[3-(bromomethyl)cyclohex-2-en-1-yl]oxy-tert-butyl-dimethylsilane
PubChem CID59262414
Molecular FormulaC13H25BrOSi
Molecular Weight305.33 g/mol
Exact Mass304.09
IUPAC Name[3-(bromomethyl)cyclohex-2-en-1-yl]oxy-tert-butyl-dimethylsilane
SMILESCC(C)(C)[Si](C)(C)OC1C=C(CBr)CCC1
InChIInChI=1S/C13H25BrOSi/c1-13(2,3)16(4,5)15-12-8-6-7-11(9-12)10-14/h9,12H,6-8,10H2,1-5H3
InChIKeyACXHCYGEYSIDSP-UHFFFAOYSA-N
XLogP4.88
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500305.33
LogP ≤ 54.88
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'}, {'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of [3-(bromomethyl)cyclohex-2-en-1-yl]oxy-tert-butyl-dimethylsilane?
The IUPAC name of [3-(bromomethyl)cyclohex-2-en-1-yl]oxy-tert-butyl-dimethylsilane (CID 59262414) is [3-(bromomethyl)cyclohex-2-en-1-yl]oxy-tert-butyl-dimethylsilane.
What is the SMILES notation for [3-(bromomethyl)cyclohex-2-en-1-yl]oxy-tert-butyl-dimethylsilane?
The canonical SMILES for [3-(bromomethyl)cyclohex-2-en-1-yl]oxy-tert-butyl-dimethylsilane is CC(C)(C)[Si](C)(C)OC1C=C(CBr)CCC1.
What is the InChIKey of [3-(bromomethyl)cyclohex-2-en-1-yl]oxy-tert-butyl-dimethylsilane?
The InChIKey is ACXHCYGEYSIDSP-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H25BrOSi/c1-13(2,3)16(4,5)15-12-8-6-7-11(9-12)10-14/h9,12H,6-8,10H2,1-5H3.
What are the key properties of [3-(bromomethyl)cyclohex-2-en-1-yl]oxy-tert-butyl-dimethylsilane?
[3-(bromomethyl)cyclohex-2-en-1-yl]oxy-tert-butyl-dimethylsilane has a molecular weight of 305.33 g/mol, XLogP of 4.88, 3 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for [3-(bromomethyl)cyclohex-2-en-1-yl]oxy-tert-butyl-dimethylsilane is sourced from PubChem (CID 59262414), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).