[2-bromo-2-(bromomethyl)pentadecoxy]-tert-butyl-dimethylsilane

C22H46Br2OSi — CID 10625626

IUPAC[2-bromo-2-(bromomethyl)pentadecoxy]-tert-butyl-dimethylsilane
SMILESCCCCCCCCCCCCCC(Br)(CBr)CO[Si](C)(C)C(C)(C)C
InChIInChI=1S/C22H46Br2OSi/c1-7-8-9-10-11-12-13-14-15-16-17-18-22(24,19-23)20-25-26(5,6)21(2,3)4/h7-20H2,1-6H3
InChIKeyWJQNWTMSKBLREM-UHFFFAOYSA-N
MW514.50 g/mol
LogP9.24
Rot. Bonds16

About [2-bromo-2-(bromomethyl)pentadecoxy]-tert-butyl-dimethylsilane

[2-bromo-2-(bromomethyl)pentadecoxy]-tert-butyl-dimethylsilane (PubChem CID 10625626) has the molecular formula C22H46Br2OSi and a molecular weight of 514.50 g/mol. Its IUPAC name is [2-bromo-2-(bromomethyl)pentadecoxy]-tert-butyl-dimethylsilane.

Molecular Properties

Compound Name[2-bromo-2-(bromomethyl)pentadecoxy]-tert-butyl-dimethylsilane
PubChem CID10625626
Molecular FormulaC22H46Br2OSi
Molecular Weight514.50 g/mol
Exact Mass512.17
IUPAC Name[2-bromo-2-(bromomethyl)pentadecoxy]-tert-butyl-dimethylsilane
SMILESCCCCCCCCCCCCCC(Br)(CBr)CO[Si](C)(C)C(C)(C)C
InChIInChI=1S/C22H46Br2OSi/c1-7-8-9-10-11-12-13-14-15-16-17-18-22(24,19-23)20-25-26(5,6)21(2,3)4/h7-20H2,1-6H3
InChIKeyWJQNWTMSKBLREM-UHFFFAOYSA-N
XLogP9.24
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds16
Heavy Atoms26
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500514.50
LogP ≤ 59.24
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

tert-butyl-hexacosoxy-dimethylsilane
CID 6430213
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CID 102120789
12-bromo-12-undecyltricosane
CID 88743185
2-butyl-2-[[tert-butyl(dimethyl)silyl]oxymethyl]hexan-1-ol
CID 59925784
tert-butyl-dimethyl-(3,3,4,4-tetradeuteriononoxy)silane
CID 10753997
(1-bromo-2-methylpropan-2-yl)-hexoxy-dimethylsilane
CID 87488521
2-bromooctoxy-tert-butyl-dimethylsilane
CID 19708690
azane;butoxy-tert-butyl-dimethylsilane
CID 87971025
1-bromo-2,2-dimethyldecane
CID 66048838
tert-butyl-[[(2S,3R)-3-hexylaziridin-2-yl]methoxy]-dimethylsilane
CID 11000178
(2R)-1-[tert-butyl(dimethyl)silyl]oxyundecan-2-ol
CID 11266641
tert-butyl-dimethyl-[(Z)-tetracos-15-enoxy]silane
CID 6430267

Frequently Asked Questions

What is the IUPAC name of [2-bromo-2-(bromomethyl)pentadecoxy]-tert-butyl-dimethylsilane?
The IUPAC name of [2-bromo-2-(bromomethyl)pentadecoxy]-tert-butyl-dimethylsilane (CID 10625626) is [2-bromo-2-(bromomethyl)pentadecoxy]-tert-butyl-dimethylsilane.
What is the SMILES notation for [2-bromo-2-(bromomethyl)pentadecoxy]-tert-butyl-dimethylsilane?
The canonical SMILES for [2-bromo-2-(bromomethyl)pentadecoxy]-tert-butyl-dimethylsilane is CCCCCCCCCCCCCC(Br)(CBr)CO[Si](C)(C)C(C)(C)C.
What is the InChIKey of [2-bromo-2-(bromomethyl)pentadecoxy]-tert-butyl-dimethylsilane?
The InChIKey is WJQNWTMSKBLREM-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H46Br2OSi/c1-7-8-9-10-11-12-13-14-15-16-17-18-22(24,19-23)20-25-26(5,6)21(2,3)4/h7-20H2,1-6H3.
What are the key properties of [2-bromo-2-(bromomethyl)pentadecoxy]-tert-butyl-dimethylsilane?
[2-bromo-2-(bromomethyl)pentadecoxy]-tert-butyl-dimethylsilane has a molecular weight of 514.50 g/mol, XLogP of 9.24, 16 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for [2-bromo-2-(bromomethyl)pentadecoxy]-tert-butyl-dimethylsilane is sourced from PubChem (CID 10625626), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).