[1-(4-bromobutoxy)-2-methylpropan-2-yl]-dimethylsilane

C10H23BrOSi — CID 173114080

IUPAC[1-(4-bromobutoxy)-2-methylpropan-2-yl]-dimethylsilane
SMILESC[SiH](C)C(C)(C)COCCCCBr
InChIInChI=1S/C10H23BrOSi/c1-10(2,13(3)4)9-12-8-6-5-7-11/h13H,5-9H2,1-4H3
InChIKeyBOAQTCMQWHLHJI-UHFFFAOYSA-N
MW267.28 g/mol
LogP3.44
Rot. Bonds7

About [1-(4-bromobutoxy)-2-methylpropan-2-yl]-dimethylsilane

[1-(4-bromobutoxy)-2-methylpropan-2-yl]-dimethylsilane (PubChem CID 173114080) has the molecular formula C10H23BrOSi and a molecular weight of 267.28 g/mol. Its IUPAC name is [1-(4-bromobutoxy)-2-methylpropan-2-yl]-dimethylsilane.

Molecular Properties

Compound Name[1-(4-bromobutoxy)-2-methylpropan-2-yl]-dimethylsilane
PubChem CID173114080
Molecular FormulaC10H23BrOSi
Molecular Weight267.28 g/mol
Exact Mass266.07
IUPAC Name[1-(4-bromobutoxy)-2-methylpropan-2-yl]-dimethylsilane
SMILESC[SiH](C)C(C)(C)COCCCCBr
InChIInChI=1S/C10H23BrOSi/c1-10(2,13(3)4)9-12-8-6-5-7-11/h13H,5-9H2,1-4H3
InChIKeyBOAQTCMQWHLHJI-UHFFFAOYSA-N
XLogP3.44
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds7
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500267.28
LogP ≤ 53.44
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

1,8-bis(4-bromobutoxy)octane
CID 139648501
1,5-bis(4-bromobutoxy)pentane
CID 139648570
1-bromo-8-butoxyoctane
CID 88564770
1-bromo-7-heptoxyheptane
CID 59707760
1-(6-bromohexoxy)decane
CID 163381140
1-bromo-6-(3-butoxypropoxy)hexane
CID 19987565
1-bromo-9-(2-butoxyethoxy)nonane
CID 105343286
5-(4-bromobutoxy)-3-methylpentane-1,3-diol
CID 139648581
2,3-bis(4-bromobutoxy)-2,3-dimethylbutane
CID 139648621
1-(6-bromohexoxy)-5-methylhexane
CID 19987541
tert-butyl 3-(6-bromohexoxy)propanoate
CID 165436316
1-bromo-3-(2-methoxyethoxy)propane
CID 15636133

Frequently Asked Questions

What is the IUPAC name of [1-(4-bromobutoxy)-2-methylpropan-2-yl]-dimethylsilane?
The IUPAC name of [1-(4-bromobutoxy)-2-methylpropan-2-yl]-dimethylsilane (CID 173114080) is [1-(4-bromobutoxy)-2-methylpropan-2-yl]-dimethylsilane.
What is the SMILES notation for [1-(4-bromobutoxy)-2-methylpropan-2-yl]-dimethylsilane?
The canonical SMILES for [1-(4-bromobutoxy)-2-methylpropan-2-yl]-dimethylsilane is C[SiH](C)C(C)(C)COCCCCBr.
What is the InChIKey of [1-(4-bromobutoxy)-2-methylpropan-2-yl]-dimethylsilane?
The InChIKey is BOAQTCMQWHLHJI-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H23BrOSi/c1-10(2,13(3)4)9-12-8-6-5-7-11/h13H,5-9H2,1-4H3.
What are the key properties of [1-(4-bromobutoxy)-2-methylpropan-2-yl]-dimethylsilane?
[1-(4-bromobutoxy)-2-methylpropan-2-yl]-dimethylsilane has a molecular weight of 267.28 g/mol, XLogP of 3.44, 7 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for [1-(4-bromobutoxy)-2-methylpropan-2-yl]-dimethylsilane is sourced from PubChem (CID 173114080), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).