1-[tert-butyl(dimethyl)silyl]oxy-3-methylpentan-3-ol

C12H28O2Si — CID 142478700

IUPAC1-[tert-butyl(dimethyl)silyl]oxy-3-methylpentan-3-ol
SMILESCCC(C)(O)CCO[Si](C)(C)C(C)(C)C
InChIInChI=1S/C12H28O2Si/c1-8-12(5,13)9-10-14-15(6,7)11(2,3)4/h13H,8-10H2,1-7H3
InChIKeyDHNNNCUEPVUZCC-UHFFFAOYSA-N
MW232.44 g/mol
LogP3.56
Rot. Bonds5

About 1-[tert-butyl(dimethyl)silyl]oxy-3-methylpentan-3-ol

1-[tert-butyl(dimethyl)silyl]oxy-3-methylpentan-3-ol (PubChem CID 142478700) has the molecular formula C12H28O2Si and a molecular weight of 232.44 g/mol. Its IUPAC name is 1-[tert-butyl(dimethyl)silyl]oxy-3-methylpentan-3-ol.

Molecular Properties

Compound Name1-[tert-butyl(dimethyl)silyl]oxy-3-methylpentan-3-ol
PubChem CID142478700
Molecular FormulaC12H28O2Si
Molecular Weight232.44 g/mol
Exact Mass232.19
IUPAC Name1-[tert-butyl(dimethyl)silyl]oxy-3-methylpentan-3-ol
SMILESCCC(C)(O)CCO[Si](C)(C)C(C)(C)C
InChIInChI=1S/C12H28O2Si/c1-8-12(5,13)9-10-14-15(6,7)11(2,3)4/h13H,8-10H2,1-7H3
InChIKeyDHNNNCUEPVUZCC-UHFFFAOYSA-N
XLogP3.56
TPSA29.46 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500232.44
LogP ≤ 53.56
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

tert-butyl-[6-[tert-butyl(dimethyl)silyl]oxyhexoxy]-dimethylsilane
CID 6430202
tert-butyl-[5-[tert-butyl(dimethyl)silyl]oxypentoxy]-dimethylsilane
CID 529127
tert-butyl-[10-[tert-butyl(dimethyl)silyl]oxydecoxy]-dimethylsilane
CID 6430197
azane;butoxy-tert-butyl-dimethylsilane
CID 87971025
tert-butyl-(4,4-dimethylpentoxy)-dimethylsilane
CID 59819312
tert-butyl-hexacosoxy-dimethylsilane
CID 6430213
7-[tert-butyl(dimethyl)silyl]oxy-5,5-dimethylheptan-2-one
CID 99768812
22-[tert-butyl(dimethyl)silyl]oxydocosan-1-ol
CID 15229755
8-[tert-butyl(dimethyl)silyl]oxyoctan-1-ol
CID 11043515
tert-butyl-dimethyl-(2-triethylsilyloxyethoxy)silane
CID 16742633
7-[tert-butyl(dimethyl)silyl]oxy-5,5-dimethylheptan-1-ol
CID 21261679
[11-[tert-butyl(dimethyl)silyl]oxy-5-[6-[tert-butyl(dimethyl)silyl]oxyhexyl]-5-hydroxyundecyl]azanide;uranium;vanadium
CID 153487293

Frequently Asked Questions

What is the IUPAC name of 1-[tert-butyl(dimethyl)silyl]oxy-3-methylpentan-3-ol?
The IUPAC name of 1-[tert-butyl(dimethyl)silyl]oxy-3-methylpentan-3-ol (CID 142478700) is 1-[tert-butyl(dimethyl)silyl]oxy-3-methylpentan-3-ol.
What is the SMILES notation for 1-[tert-butyl(dimethyl)silyl]oxy-3-methylpentan-3-ol?
The canonical SMILES for 1-[tert-butyl(dimethyl)silyl]oxy-3-methylpentan-3-ol is CCC(C)(O)CCO[Si](C)(C)C(C)(C)C.
What is the InChIKey of 1-[tert-butyl(dimethyl)silyl]oxy-3-methylpentan-3-ol?
The InChIKey is DHNNNCUEPVUZCC-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H28O2Si/c1-8-12(5,13)9-10-14-15(6,7)11(2,3)4/h13H,8-10H2,1-7H3.
What are the key properties of 1-[tert-butyl(dimethyl)silyl]oxy-3-methylpentan-3-ol?
1-[tert-butyl(dimethyl)silyl]oxy-3-methylpentan-3-ol has a molecular weight of 232.44 g/mol, XLogP of 3.56, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[tert-butyl(dimethyl)silyl]oxy-3-methylpentan-3-ol is sourced from PubChem (CID 142478700), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).