2-butyl-2-[[tert-butyl(dimethyl)silyl]oxymethyl]hexan-1-ol

C17H38O2Si — CID 59925784

IUPAC2-butyl-2-[[tert-butyl(dimethyl)silyl]oxymethyl]hexan-1-ol
SMILESCCCCC(CO)(CCCC)CO[Si](C)(C)C(C)(C)C
InChIInChI=1S/C17H38O2Si/c1-8-10-12-17(14-18,13-11-9-2)15-19-20(6,7)16(3,4)5/h18H,8-15H2,1-7H3
InChIKeyTYQYWWZHMLCUPU-UHFFFAOYSA-N
MW302.58 g/mol
LogP5.37
Rot. Bonds10

About 2-butyl-2-[[tert-butyl(dimethyl)silyl]oxymethyl]hexan-1-ol

2-butyl-2-[[tert-butyl(dimethyl)silyl]oxymethyl]hexan-1-ol (PubChem CID 59925784) has the molecular formula C17H38O2Si and a molecular weight of 302.58 g/mol. Its IUPAC name is 2-butyl-2-[[tert-butyl(dimethyl)silyl]oxymethyl]hexan-1-ol.

Molecular Properties

Compound Name2-butyl-2-[[tert-butyl(dimethyl)silyl]oxymethyl]hexan-1-ol
PubChem CID59925784
Molecular FormulaC17H38O2Si
Molecular Weight302.58 g/mol
Exact Mass302.26
IUPAC Name2-butyl-2-[[tert-butyl(dimethyl)silyl]oxymethyl]hexan-1-ol
SMILESCCCCC(CO)(CCCC)CO[Si](C)(C)C(C)(C)C
InChIInChI=1S/C17H38O2Si/c1-8-10-12-17(14-18,13-11-9-2)15-19-20(6,7)16(3,4)5/h18H,8-15H2,1-7H3
InChIKeyTYQYWWZHMLCUPU-UHFFFAOYSA-N
XLogP5.37
TPSA29.46 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds10
Heavy Atoms20
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500302.58
LogP ≤ 55.37
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'heavy_metal', 'substructure': 'N/A'}

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Related Compounds

(2S)-2-[[tert-butyl(dimethyl)silyl]oxymethyl]-2-methylheptanoic acid
CID 102120789
2,2-dibutylpropane-1,3-diol;2,2-dipropylpropane-1,3-diol
CID 159748951
azane;butoxy-tert-butyl-dimethylsilane
CID 87971025
[2-bromo-2-(bromomethyl)pentadecoxy]-tert-butyl-dimethylsilane
CID 10625626
tert-butyl-hexacosoxy-dimethylsilane
CID 6430213
2-ethyl-2-[(3-hydroxy-2,2-dimethylpropoxy)methyl]hexan-1-ol
CID 90266979
1-[tert-butyl(dimethyl)silyl]oxyhenicosan-2-ol
CID 168831338
(2R)-1-[tert-butyl(dimethyl)silyl]oxyundecan-2-ol
CID 11266641
2-ethyl-2-(phosphanyloxymethyl)hexan-1-ol
CID 146506376
2-(aminomethyl)-2-butylpropane-1,3-diol
CID 139977749
4-[2-[4-[tert-butyl(dimethyl)silyl]oxy-3,3-dimethylbutoxy]ethoxy]-2,2-dimethylbutan-1-ol
CID 10667273
2-butyl-2-ethyl-5,5-dimethylhexan-1-ol
CID 66057661

Frequently Asked Questions

What is the IUPAC name of 2-butyl-2-[[tert-butyl(dimethyl)silyl]oxymethyl]hexan-1-ol?
The IUPAC name of 2-butyl-2-[[tert-butyl(dimethyl)silyl]oxymethyl]hexan-1-ol (CID 59925784) is 2-butyl-2-[[tert-butyl(dimethyl)silyl]oxymethyl]hexan-1-ol.
What is the SMILES notation for 2-butyl-2-[[tert-butyl(dimethyl)silyl]oxymethyl]hexan-1-ol?
The canonical SMILES for 2-butyl-2-[[tert-butyl(dimethyl)silyl]oxymethyl]hexan-1-ol is CCCCC(CO)(CCCC)CO[Si](C)(C)C(C)(C)C.
What is the InChIKey of 2-butyl-2-[[tert-butyl(dimethyl)silyl]oxymethyl]hexan-1-ol?
The InChIKey is TYQYWWZHMLCUPU-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H38O2Si/c1-8-10-12-17(14-18,13-11-9-2)15-19-20(6,7)16(3,4)5/h18H,8-15H2,1-7H3.
What are the key properties of 2-butyl-2-[[tert-butyl(dimethyl)silyl]oxymethyl]hexan-1-ol?
2-butyl-2-[[tert-butyl(dimethyl)silyl]oxymethyl]hexan-1-ol has a molecular weight of 302.58 g/mol, XLogP of 5.37, 10 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-butyl-2-[[tert-butyl(dimethyl)silyl]oxymethyl]hexan-1-ol is sourced from PubChem (CID 59925784), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).