(3,4-dibromo-4-methyl-7-oxabicyclo[4.1.0]heptan-1-yl)-trimethylsilane

C10H18Br2OSi — CID 12696395

IUPAC(3,4-dibromo-4-methyl-7-oxabicyclo[4.1.0]heptan-1-yl)-trimethylsilane
SMILESCC1(Br)CC2OC2([Si](C)(C)C)CC1Br
InChIInChI=1S/C10H18Br2OSi/c1-9(12)6-8-10(13-8,5-7(9)11)14(2,3)4/h7-8H,5-6H2,1-4H3
InChIKeyOGHRMXPROVGTRS-UHFFFAOYSA-N
MW342.15 g/mol
LogP3.71
Rot. Bonds1

About (3,4-dibromo-4-methyl-7-oxabicyclo[4.1.0]heptan-1-yl)-trimethylsilane

(3,4-dibromo-4-methyl-7-oxabicyclo[4.1.0]heptan-1-yl)-trimethylsilane (PubChem CID 12696395) has the molecular formula C10H18Br2OSi and a molecular weight of 342.15 g/mol. Its IUPAC name is (3,4-dibromo-4-methyl-7-oxabicyclo[4.1.0]heptan-1-yl)-trimethylsilane.

Molecular Properties

Compound Name(3,4-dibromo-4-methyl-7-oxabicyclo[4.1.0]heptan-1-yl)-trimethylsilane
PubChem CID12696395
Molecular FormulaC10H18Br2OSi
Molecular Weight342.15 g/mol
Exact Mass339.95
IUPAC Name(3,4-dibromo-4-methyl-7-oxabicyclo[4.1.0]heptan-1-yl)-trimethylsilane
SMILESCC1(Br)CC2OC2([Si](C)(C)C)CC1Br
InChIInChI=1S/C10H18Br2OSi/c1-9(12)6-8-10(13-8,5-7(9)11)14(2,3)4/h7-8H,5-6H2,1-4H3
InChIKeyOGHRMXPROVGTRS-UHFFFAOYSA-N
XLogP3.71
TPSA12.53 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500342.15
LogP ≤ 53.71
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': 'Three-membered_heterocycle', 'substructure': 'N/A'}

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Related Compounds

(2-bromo-1-methylcyclopropyl)-trimethylsilane
CID 67276788
(1R)-1-methyl-2-oxabicyclo[1.1.0]butane
CID 173021460
3,4-dibromo-3,7,7-trimethylbicyclo[4.1.0]heptane
CID 13148708
(1R,3R,4S,6S)-3,4-dibromo-1,6-dimethyl-7-oxabicyclo[4.1.0]heptane
CID 124922220
1,2,4-tribromo-4-(2-bromopropan-2-yl)-1-methylcyclohexane
CID 86208820
(1S,3S,4S,6S)-3,4-dibromo-1-methyl-7-oxabicyclo[4.1.0]heptane
CID 99952725
(1R,3R,4R,6S)-3,4-dibromo-1-methyl-7-oxabicyclo[4.1.0]heptane
CID 98553630
(1R,3S,4S,8R,11R)-3,8-dibromo-4-chloro-4,11,12,12-tetramethyl-7-oxatricyclo[6.3.1.01,6]dodec-9-en-11-ol
CID 163056142
CID 59112173
CID 59112173
3-bromo-2-ethyl-2-methyloxirane
CID 141187885
1,2-dibromo-1-methylcyclooctane
CID 18443823
1-bicyclo[1.1.0]butanyl(trimethyl)silane
CID 12954242

Frequently Asked Questions

What is the IUPAC name of (3,4-dibromo-4-methyl-7-oxabicyclo[4.1.0]heptan-1-yl)-trimethylsilane?
The IUPAC name of (3,4-dibromo-4-methyl-7-oxabicyclo[4.1.0]heptan-1-yl)-trimethylsilane (CID 12696395) is (3,4-dibromo-4-methyl-7-oxabicyclo[4.1.0]heptan-1-yl)-trimethylsilane.
What is the SMILES notation for (3,4-dibromo-4-methyl-7-oxabicyclo[4.1.0]heptan-1-yl)-trimethylsilane?
The canonical SMILES for (3,4-dibromo-4-methyl-7-oxabicyclo[4.1.0]heptan-1-yl)-trimethylsilane is CC1(Br)CC2OC2([Si](C)(C)C)CC1Br.
What is the InChIKey of (3,4-dibromo-4-methyl-7-oxabicyclo[4.1.0]heptan-1-yl)-trimethylsilane?
The InChIKey is OGHRMXPROVGTRS-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H18Br2OSi/c1-9(12)6-8-10(13-8,5-7(9)11)14(2,3)4/h7-8H,5-6H2,1-4H3.
What are the key properties of (3,4-dibromo-4-methyl-7-oxabicyclo[4.1.0]heptan-1-yl)-trimethylsilane?
(3,4-dibromo-4-methyl-7-oxabicyclo[4.1.0]heptan-1-yl)-trimethylsilane has a molecular weight of 342.15 g/mol, XLogP of 3.71, 1 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (3,4-dibromo-4-methyl-7-oxabicyclo[4.1.0]heptan-1-yl)-trimethylsilane is sourced from PubChem (CID 12696395), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).