bromomethyl-cyclohex-2-en-1-yloxy-dimethylsilane

C9H17BrOSi — CID 13272633

IUPACbromomethyl-cyclohex-2-en-1-yloxy-dimethylsilane
SMILESC[Si](C)(CBr)OC1C=CCCC1
InChIInChI=1S/C9H17BrOSi/c1-12(2,8-10)11-9-6-4-3-5-7-9/h4,6,9H,3,5,7-8H2,1-2H3
InChIKeyOQNHXNPRUKYRCX-UHFFFAOYSA-N
MW249.22 g/mol
LogP3.25
Rot. Bonds3

About bromomethyl-cyclohex-2-en-1-yloxy-dimethylsilane

bromomethyl-cyclohex-2-en-1-yloxy-dimethylsilane (PubChem CID 13272633) has the molecular formula C9H17BrOSi and a molecular weight of 249.22 g/mol. Its IUPAC name is bromomethyl-cyclohex-2-en-1-yloxy-dimethylsilane.

Molecular Properties

Compound Namebromomethyl-cyclohex-2-en-1-yloxy-dimethylsilane
PubChem CID13272633
Molecular FormulaC9H17BrOSi
Molecular Weight249.22 g/mol
Exact Mass248.02
IUPAC Namebromomethyl-cyclohex-2-en-1-yloxy-dimethylsilane
SMILESC[Si](C)(CBr)OC1C=CCCC1
InChIInChI=1S/C9H17BrOSi/c1-12(2,8-10)11-9-6-4-3-5-7-9/h4,6,9H,3,5,7-8H2,1-2H3
InChIKeyOQNHXNPRUKYRCX-UHFFFAOYSA-N
XLogP3.25
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500249.22
LogP ≤ 53.25
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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Related Compounds

(2-Cyclohexen-1-yloxy)(trimethyl)silane
CID 521533
Cyclohex-2-en-1-yloxy-dimethylsilyloxy-dimethylsilane
CID 146161495
tert-Butyl(cyclohex-2-enyloxy)dimethylsilane
CID 11085130
Cyclohept-2-en-1-yloxy(trimethyl)silane
CID 12504316
1-Octen-3-ol, bromomethyldimethylsilyl ether
CID 91734154
Silane, dimethyl(oct-3-en-2-yloxy)pentyloxy-
CID 91734980
Cyclohex-2-en-1-yloxy(triethyl)silane
CID 86123156
Bromomethyl-dimethyl-(3-methylcyclopent-2-en-1-yl)oxysilane
CID 134858922
tert-butyl-[(1S)-cyclohex-2-en-1-yl]oxy-dimethylsilane
CID 12552369
Cyclohex-2-en-1-yloxy-tri(propan-2-yl)silane
CID 15931230
[(1R,6R)-6-bromocyclohex-3-en-1-yl]oxy-trimethylsilane
CID 20640824
(6-Bromocyclohex-3-en-1-yl)oxy-trimethylsilane
CID 22013157

Frequently Asked Questions

What is the IUPAC name of bromomethyl-cyclohex-2-en-1-yloxy-dimethylsilane?
The IUPAC name of bromomethyl-cyclohex-2-en-1-yloxy-dimethylsilane (CID 13272633) is bromomethyl-cyclohex-2-en-1-yloxy-dimethylsilane.
What is the SMILES notation for bromomethyl-cyclohex-2-en-1-yloxy-dimethylsilane?
The canonical SMILES for bromomethyl-cyclohex-2-en-1-yloxy-dimethylsilane is C[Si](C)(CBr)OC1C=CCCC1.
What is the InChIKey of bromomethyl-cyclohex-2-en-1-yloxy-dimethylsilane?
The InChIKey is OQNHXNPRUKYRCX-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H17BrOSi/c1-12(2,8-10)11-9-6-4-3-5-7-9/h4,6,9H,3,5,7-8H2,1-2H3.
What are the key properties of bromomethyl-cyclohex-2-en-1-yloxy-dimethylsilane?
bromomethyl-cyclohex-2-en-1-yloxy-dimethylsilane has a molecular weight of 249.22 g/mol, XLogP of 3.25, 3 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for bromomethyl-cyclohex-2-en-1-yloxy-dimethylsilane is sourced from PubChem (CID 13272633), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).