2-bromooctoxy-tert-butyl-dimethylsilane

C14H31BrOSi — CID 19708690

IUPAC2-bromooctoxy-tert-butyl-dimethylsilane
SMILESCCCCCCC(Br)CO[Si](C)(C)C(C)(C)C
InChIInChI=1S/C14H31BrOSi/c1-7-8-9-10-11-13(15)12-16-17(5,6)14(2,3)4/h13H,7-12H2,1-6H3
InChIKeySQUFCVRUONYHRE-UHFFFAOYSA-N
MW323.39 g/mol
LogP5.74
Rot. Bonds8

About 2-bromooctoxy-tert-butyl-dimethylsilane

2-bromooctoxy-tert-butyl-dimethylsilane (PubChem CID 19708690) has the molecular formula C14H31BrOSi and a molecular weight of 323.39 g/mol. Its IUPAC name is 2-bromooctoxy-tert-butyl-dimethylsilane.

Molecular Properties

Compound Name2-bromooctoxy-tert-butyl-dimethylsilane
PubChem CID19708690
Molecular FormulaC14H31BrOSi
Molecular Weight323.39 g/mol
Exact Mass322.13
IUPAC Name2-bromooctoxy-tert-butyl-dimethylsilane
SMILESCCCCCCC(Br)CO[Si](C)(C)C(C)(C)C
InChIInChI=1S/C14H31BrOSi/c1-7-8-9-10-11-13(15)12-16-17(5,6)14(2,3)4/h13H,7-12H2,1-6H3
InChIKeySQUFCVRUONYHRE-UHFFFAOYSA-N
XLogP5.74
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds8
Heavy Atoms17
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500323.39
LogP ≤ 55.74
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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Related Compounds

1-[tert-butyl(dimethyl)silyl]oxyhenicosan-2-ol
CID 168831338
(2R)-1-[tert-butyl(dimethyl)silyl]oxyundecan-2-ol
CID 11266641
[2-bromo-3-[tert-butyl(dimethyl)silyl]oxypropoxy]-tert-butyl-dimethylsilane
CID 125380572
2-[[tert-butyl(dimethyl)silyl]oxymethyl]dodecanoic acid
CID 25213691
3-[[tert-butyl(dimethyl)silyl]oxymethyl]octanal
CID 101239528
tert-butyl-hexacosoxy-dimethylsilane
CID 6430213
(3S)-1-[tert-butyl(dimethyl)silyl]oxydecan-3-ol
CID 125490283
6-bromopentadecane
CID 86639780
12-bromodotriacontane
CID 122613066
(2S,3S,4R)-2-amino-1,3-bis[[tert-butyl(dimethyl)silyl]oxy]octadecan-4-ol
CID 10864535
tert-butyl-dimethyl-pentadecan-2-yloxysilane
CID 6430239
tert-butyl-dimethyl-(3,3,4,4-tetradeuteriononoxy)silane
CID 10753997

Frequently Asked Questions

What is the IUPAC name of 2-bromooctoxy-tert-butyl-dimethylsilane?
The IUPAC name of 2-bromooctoxy-tert-butyl-dimethylsilane (CID 19708690) is 2-bromooctoxy-tert-butyl-dimethylsilane.
What is the SMILES notation for 2-bromooctoxy-tert-butyl-dimethylsilane?
The canonical SMILES for 2-bromooctoxy-tert-butyl-dimethylsilane is CCCCCCC(Br)CO[Si](C)(C)C(C)(C)C.
What is the InChIKey of 2-bromooctoxy-tert-butyl-dimethylsilane?
The InChIKey is SQUFCVRUONYHRE-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H31BrOSi/c1-7-8-9-10-11-13(15)12-16-17(5,6)14(2,3)4/h13H,7-12H2,1-6H3.
What are the key properties of 2-bromooctoxy-tert-butyl-dimethylsilane?
2-bromooctoxy-tert-butyl-dimethylsilane has a molecular weight of 323.39 g/mol, XLogP of 5.74, 8 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-bromooctoxy-tert-butyl-dimethylsilane is sourced from PubChem (CID 19708690), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).