4-[tert-butyl(dimethyl)silyl]oxy-2-methylpentan-1-ol

C12H28O2Si — CID 11107222

IUPAC4-[tert-butyl(dimethyl)silyl]oxy-2-methylpentan-1-ol
SMILESCC(CO)CC(C)O[Si](C)(C)C(C)(C)C
InChIInChI=1S/C12H28O2Si/c1-10(9-13)8-11(2)14-15(6,7)12(3,4)5/h10-11,13H,8-9H2,1-7H3
InChIKeyHBDQUWZBOYIRHH-UHFFFAOYSA-N
MW232.44 g/mol
LogP3.42
Rot. Bonds5

About 4-[tert-butyl(dimethyl)silyl]oxy-2-methylpentan-1-ol

4-[tert-butyl(dimethyl)silyl]oxy-2-methylpentan-1-ol (PubChem CID 11107222) has the molecular formula C12H28O2Si and a molecular weight of 232.44 g/mol. Its IUPAC name is 4-[tert-butyl(dimethyl)silyl]oxy-2-methylpentan-1-ol.

Molecular Properties

Compound Name4-[tert-butyl(dimethyl)silyl]oxy-2-methylpentan-1-ol
PubChem CID11107222
Molecular FormulaC12H28O2Si
Molecular Weight232.44 g/mol
Exact Mass232.19
IUPAC Name4-[tert-butyl(dimethyl)silyl]oxy-2-methylpentan-1-ol
SMILESCC(CO)CC(C)O[Si](C)(C)C(C)(C)C
InChIInChI=1S/C12H28O2Si/c1-10(9-13)8-11(2)14-15(6,7)12(3,4)5/h10-11,13H,8-9H2,1-7H3
InChIKeyHBDQUWZBOYIRHH-UHFFFAOYSA-N
XLogP3.42
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 ≤ 53.42
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

5-((Tert-butyldimethylsilyl)oxy)pentan-2-ol
CID 10998500
4-[(Tert-butyldimethylsilyl)oxy]-3-methylbutan-1-ol
CID 72951988
(2S,4R)-5-[tert-butyl(dimethyl)silyl]oxy-2,4-dimethylpentan-1-ol
CID 10444620
5-((t-Butyldimethylsilyl)oxy)-2,4-dimethylpentan-1-ol
CID 13596692
(2S,3S)-3,5-bis[[tert-butyl(dimethyl)silyl]oxy]-2-methylpentan-1-ol
CID 11035844
4-[Tert-butyl(dimethyl)silyl]oxy-4-methylpentan-2-ol
CID 15124201
(2S)-4-{[tert-Butyl(dimethyl)silyl]oxy}-2-methylbutan-1-ol
CID 16050209
(cis-2-(((tert-Butyldimethylsilyl)oxy)methyl)cyclopropyl)methanol
CID 69296261
(2S,3S,4S)-3,5-bis[[tert-butyl(dimethyl)silyl]oxy]-2,4-dimethylpentan-1-ol
CID 91394804
(2S,4S)-4-[ditert-butyl(fluoro)silyl]oxy-5-methylhexan-2-ol
CID 10870068
(2R,4S)-4-[ditert-butyl(fluoro)silyl]oxy-5-methylhexan-2-ol
CID 10968334
2-Methyl-1-butanol, 3-t-butyldimethylsilyloxy-
CID 554461

Frequently Asked Questions

What is the IUPAC name of 4-[tert-butyl(dimethyl)silyl]oxy-2-methylpentan-1-ol?
The IUPAC name of 4-[tert-butyl(dimethyl)silyl]oxy-2-methylpentan-1-ol (CID 11107222) is 4-[tert-butyl(dimethyl)silyl]oxy-2-methylpentan-1-ol.
What is the SMILES notation for 4-[tert-butyl(dimethyl)silyl]oxy-2-methylpentan-1-ol?
The canonical SMILES for 4-[tert-butyl(dimethyl)silyl]oxy-2-methylpentan-1-ol is CC(CO)CC(C)O[Si](C)(C)C(C)(C)C.
What is the InChIKey of 4-[tert-butyl(dimethyl)silyl]oxy-2-methylpentan-1-ol?
The InChIKey is HBDQUWZBOYIRHH-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H28O2Si/c1-10(9-13)8-11(2)14-15(6,7)12(3,4)5/h10-11,13H,8-9H2,1-7H3.
What are the key properties of 4-[tert-butyl(dimethyl)silyl]oxy-2-methylpentan-1-ol?
4-[tert-butyl(dimethyl)silyl]oxy-2-methylpentan-1-ol has a molecular weight of 232.44 g/mol, XLogP of 3.42, 5 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-2-methylpentan-1-ol is sourced from PubChem (CID 11107222), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).