(2-bromocyclohexen-1-yl)methoxy-tert-butyl-dimethylsilane

C13H25BrOSi — CID 125470785

IUPAC(2-bromocyclohexen-1-yl)methoxy-tert-butyl-dimethylsilane
SMILESCC(C)(C)[Si](C)(C)OCC1=C(Br)CCCC1
InChIInChI=1S/C13H25BrOSi/c1-13(2,3)16(4,5)15-10-11-8-6-7-9-12(11)14/h6-10H2,1-5H3
InChIKeyXYAJDBRFGNDZQJ-UHFFFAOYSA-N
MW305.33 g/mol
LogP5.23
Rot. Bonds3

About (2-bromocyclohexen-1-yl)methoxy-tert-butyl-dimethylsilane

(2-bromocyclohexen-1-yl)methoxy-tert-butyl-dimethylsilane (PubChem CID 125470785) has the molecular formula C13H25BrOSi and a molecular weight of 305.33 g/mol. Its IUPAC name is (2-bromocyclohexen-1-yl)methoxy-tert-butyl-dimethylsilane.

Molecular Properties

Compound Name(2-bromocyclohexen-1-yl)methoxy-tert-butyl-dimethylsilane
PubChem CID125470785
Molecular FormulaC13H25BrOSi
Molecular Weight305.33 g/mol
Exact Mass304.09
IUPAC Name(2-bromocyclohexen-1-yl)methoxy-tert-butyl-dimethylsilane
SMILESCC(C)(C)[Si](C)(C)OCC1=C(Br)CCCC1
InChIInChI=1S/C13H25BrOSi/c1-13(2,3)16(4,5)15-10-11-8-6-7-9-12(11)14/h6-10H2,1-5H3
InChIKeyXYAJDBRFGNDZQJ-UHFFFAOYSA-N
XLogP5.23
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500305.33
LogP ≤ 55.23
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of (2-bromocyclohexen-1-yl)methoxy-tert-butyl-dimethylsilane?
The IUPAC name of (2-bromocyclohexen-1-yl)methoxy-tert-butyl-dimethylsilane (CID 125470785) is (2-bromocyclohexen-1-yl)methoxy-tert-butyl-dimethylsilane.
What is the SMILES notation for (2-bromocyclohexen-1-yl)methoxy-tert-butyl-dimethylsilane?
The canonical SMILES for (2-bromocyclohexen-1-yl)methoxy-tert-butyl-dimethylsilane is CC(C)(C)[Si](C)(C)OCC1=C(Br)CCCC1.
What is the InChIKey of (2-bromocyclohexen-1-yl)methoxy-tert-butyl-dimethylsilane?
The InChIKey is XYAJDBRFGNDZQJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H25BrOSi/c1-13(2,3)16(4,5)15-10-11-8-6-7-9-12(11)14/h6-10H2,1-5H3.
What are the key properties of (2-bromocyclohexen-1-yl)methoxy-tert-butyl-dimethylsilane?
(2-bromocyclohexen-1-yl)methoxy-tert-butyl-dimethylsilane has a molecular weight of 305.33 g/mol, XLogP of 5.23, 3 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (2-bromocyclohexen-1-yl)methoxy-tert-butyl-dimethylsilane is sourced from PubChem (CID 125470785), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).