4-[tert-butyl(dimethyl)silyl]oxy-4-methylpentan-2-ol

C12H28O2Si — CID 15124201

IUPAC4-[tert-butyl(dimethyl)silyl]oxy-4-methylpentan-2-ol
SMILESCC(O)CC(C)(C)O[Si](C)(C)C(C)(C)C
InChIInChI=1S/C12H28O2Si/c1-10(13)9-12(5,6)14-15(7,8)11(2,3)4/h10,13H,9H2,1-8H3
InChIKeyHEYDTXSPVKFGGE-UHFFFAOYSA-N
MW232.44 g/mol
LogP3.56
Rot. Bonds4

About 4-[tert-butyl(dimethyl)silyl]oxy-4-methylpentan-2-ol

4-[tert-butyl(dimethyl)silyl]oxy-4-methylpentan-2-ol (PubChem CID 15124201) has the molecular formula C12H28O2Si and a molecular weight of 232.44 g/mol. Its IUPAC name is 4-[tert-butyl(dimethyl)silyl]oxy-4-methylpentan-2-ol.

Molecular Properties

Compound Name4-[tert-butyl(dimethyl)silyl]oxy-4-methylpentan-2-ol
PubChem CID15124201
Molecular FormulaC12H28O2Si
Molecular Weight232.44 g/mol
Exact Mass232.19
IUPAC Name4-[tert-butyl(dimethyl)silyl]oxy-4-methylpentan-2-ol
SMILESCC(O)CC(C)(C)O[Si](C)(C)C(C)(C)C
InChIInChI=1S/C12H28O2Si/c1-10(13)9-12(5,6)14-15(7,8)11(2,3)4/h10,13H,9H2,1-8H3
InChIKeyHEYDTXSPVKFGGE-UHFFFAOYSA-N
XLogP3.56
TPSA29.46 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
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

1-Butanol, 3-t-butyldimethylsilyloxy-
CID 554645
3-(tert-Butyldimethylsilanyloxy)pentane-1,5-diol
CID 10868252
1-Butanol, 3-[[(1,1-dimethylethyl)dimethylsilyl]oxy]-, (3R)-
CID 11052750
(S)-4-(tert-butyldimethylsilyloxy)butan-2-ol
CID 10998136
4-((tert-Butyldimethylsilyl)oxy)butan-2-ol
CID 11019995
3-Methyl-3-[(triethylsilyl)dioxy]-butanol
CID 85604536
4-[Tert-butyl(dimethyl)silyl]oxy-2-methylbutan-2-ol
CID 140148112
3,3-Difluoro-2-methyl-4-trimethylsilyloxypentan-2-ol
CID 123291363
2-Methyl-1-butanol, 3-t-butyldimethylsilyloxy-
CID 554461
(2R,3S)-3-[tert-butyl(dimethyl)silyl]oxy-2-methylbutan-1-ol
CID 11063919
(2R,3S)-4-[tert-butyl(dimethyl)silyl]oxy-3-methylbutan-2-ol
CID 15598231
(2S,4R)-4-((tert-Butyldimethylsilyl)oxy)pentan-2-ol
CID 89120813

Frequently Asked Questions

What is the IUPAC name of 4-[tert-butyl(dimethyl)silyl]oxy-4-methylpentan-2-ol?
The IUPAC name of 4-[tert-butyl(dimethyl)silyl]oxy-4-methylpentan-2-ol (CID 15124201) is 4-[tert-butyl(dimethyl)silyl]oxy-4-methylpentan-2-ol.
What is the SMILES notation for 4-[tert-butyl(dimethyl)silyl]oxy-4-methylpentan-2-ol?
The canonical SMILES for 4-[tert-butyl(dimethyl)silyl]oxy-4-methylpentan-2-ol is CC(O)CC(C)(C)O[Si](C)(C)C(C)(C)C.
What is the InChIKey of 4-[tert-butyl(dimethyl)silyl]oxy-4-methylpentan-2-ol?
The InChIKey is HEYDTXSPVKFGGE-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H28O2Si/c1-10(13)9-12(5,6)14-15(7,8)11(2,3)4/h10,13H,9H2,1-8H3.
What are the key properties of 4-[tert-butyl(dimethyl)silyl]oxy-4-methylpentan-2-ol?
4-[tert-butyl(dimethyl)silyl]oxy-4-methylpentan-2-ol has a molecular weight of 232.44 g/mol, XLogP of 3.56, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[tert-butyl(dimethyl)silyl]oxy-4-methylpentan-2-ol is sourced from PubChem (CID 15124201), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).