7-bromoheptan-2-yloxy-tert-butyl-dimethylsilane

C13H29BrOSi — CID 85370391

IUPAC7-bromoheptan-2-yloxy-tert-butyl-dimethylsilane
SMILESCC(CCCCCBr)O[Si](C)(C)C(C)(C)C
InChIInChI=1S/C13H29BrOSi/c1-12(10-8-7-9-11-14)15-16(5,6)13(2,3)4/h12H,7-11H2,1-6H3
InChIKeyIEZPTBYOVWHHRC-UHFFFAOYSA-N
MW309.36 g/mol
LogP5.35
Rot. Bonds7

About 7-bromoheptan-2-yloxy-tert-butyl-dimethylsilane

7-bromoheptan-2-yloxy-tert-butyl-dimethylsilane (PubChem CID 85370391) has the molecular formula C13H29BrOSi and a molecular weight of 309.36 g/mol. Its IUPAC name is 7-bromoheptan-2-yloxy-tert-butyl-dimethylsilane.

Molecular Properties

Compound Name7-bromoheptan-2-yloxy-tert-butyl-dimethylsilane
PubChem CID85370391
Molecular FormulaC13H29BrOSi
Molecular Weight309.36 g/mol
Exact Mass308.12
IUPAC Name7-bromoheptan-2-yloxy-tert-butyl-dimethylsilane
SMILESCC(CCCCCBr)O[Si](C)(C)C(C)(C)C
InChIInChI=1S/C13H29BrOSi/c1-12(10-8-7-9-11-14)15-16(5,6)13(2,3)4/h12H,7-11H2,1-6H3
InChIKeyIEZPTBYOVWHHRC-UHFFFAOYSA-N
XLogP5.35
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds7
Heavy Atoms16
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500309.36
LogP ≤ 55.35
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'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 7-bromoheptan-2-yloxy-tert-butyl-dimethylsilane?
The IUPAC name of 7-bromoheptan-2-yloxy-tert-butyl-dimethylsilane (CID 85370391) is 7-bromoheptan-2-yloxy-tert-butyl-dimethylsilane.
What is the SMILES notation for 7-bromoheptan-2-yloxy-tert-butyl-dimethylsilane?
The canonical SMILES for 7-bromoheptan-2-yloxy-tert-butyl-dimethylsilane is CC(CCCCCBr)O[Si](C)(C)C(C)(C)C.
What is the InChIKey of 7-bromoheptan-2-yloxy-tert-butyl-dimethylsilane?
The InChIKey is IEZPTBYOVWHHRC-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H29BrOSi/c1-12(10-8-7-9-11-14)15-16(5,6)13(2,3)4/h12H,7-11H2,1-6H3.
What are the key properties of 7-bromoheptan-2-yloxy-tert-butyl-dimethylsilane?
7-bromoheptan-2-yloxy-tert-butyl-dimethylsilane has a molecular weight of 309.36 g/mol, XLogP of 5.35, 7 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 7-bromoheptan-2-yloxy-tert-butyl-dimethylsilane is sourced from PubChem (CID 85370391), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).