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

C12H28O2Si — CID 14758907

IUPAC5-[tert-butyl(dimethyl)silyl]oxy-4-methylpentan-1-ol
SMILESCC(CCCO)CO[Si](C)(C)C(C)(C)C
InChIInChI=1S/C12H28O2Si/c1-11(8-7-9-13)10-14-15(5,6)12(2,3)4/h11,13H,7-10H2,1-6H3
InChIKeyRVWUQHAPWDLLLB-UHFFFAOYSA-N
MW232.44 g/mol
LogP3.42
Rot. Bonds6

About 5-[tert-butyl(dimethyl)silyl]oxy-4-methylpentan-1-ol

5-[tert-butyl(dimethyl)silyl]oxy-4-methylpentan-1-ol (PubChem CID 14758907) has the molecular formula C12H28O2Si and a molecular weight of 232.44 g/mol. Its IUPAC name is 5-[tert-butyl(dimethyl)silyl]oxy-4-methylpentan-1-ol.

Molecular Properties

Compound Name5-[tert-butyl(dimethyl)silyl]oxy-4-methylpentan-1-ol
PubChem CID14758907
Molecular FormulaC12H28O2Si
Molecular Weight232.44 g/mol
Exact Mass232.19
IUPAC Name5-[tert-butyl(dimethyl)silyl]oxy-4-methylpentan-1-ol
SMILESCC(CCCO)CO[Si](C)(C)C(C)(C)C
InChIInChI=1S/C12H28O2Si/c1-11(8-7-9-13)10-14-15(5,6)12(2,3)4/h11,13H,7-10H2,1-6H3
InChIKeyRVWUQHAPWDLLLB-UHFFFAOYSA-N
XLogP3.42
TPSA29.46 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
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

tert-butyl-dimethyl-[(2S)-2-methylbutoxy]silane
CID 133082116
methyl (4S)-5-[tert-butyl(dimethyl)silyl]oxy-4-methylpentanoate
CID 11737070
3-[[tert-butyl(dimethyl)silyl]oxymethyl]hexane-1,5-diol
CID 174174824
(E)-6-[tert-butyl(dimethyl)silyl]oxy-5-methylhex-2-en-1-ol
CID 19737479
1-[tert-butyl(dimethyl)silyl]oxypropan-2-ol
CID 13175134
tert-butyl-dimethyl-[(2S,4S,6S)-2,4,6,8-tetramethylnonoxy]silane
CID 57336860
tert-butyl-[(E,2R)-2,4-dimethylhex-4-enoxy]-dimethylsilane
CID 10060311
1-[tert-butyl(dimethyl)silyl]oxy-3-methylbutan-2-ol
CID 14336173
22-[tert-butyl(dimethyl)silyl]oxydocosan-1-ol
CID 15229755
8-[tert-butyl(dimethyl)silyl]oxyoctan-1-ol
CID 11043515
(2S)-1,5-bis[[tert-butyl(dimethyl)silyl]oxy]pentan-2-ol
CID 163365178
methyl (3S)-4-[tert-butyl(dimethyl)silyl]oxy-3-methylbutanoate
CID 11817464

Frequently Asked Questions

What is the IUPAC name of 5-[tert-butyl(dimethyl)silyl]oxy-4-methylpentan-1-ol?
The IUPAC name of 5-[tert-butyl(dimethyl)silyl]oxy-4-methylpentan-1-ol (CID 14758907) is 5-[tert-butyl(dimethyl)silyl]oxy-4-methylpentan-1-ol.
What is the SMILES notation for 5-[tert-butyl(dimethyl)silyl]oxy-4-methylpentan-1-ol?
The canonical SMILES for 5-[tert-butyl(dimethyl)silyl]oxy-4-methylpentan-1-ol is CC(CCCO)CO[Si](C)(C)C(C)(C)C.
What is the InChIKey of 5-[tert-butyl(dimethyl)silyl]oxy-4-methylpentan-1-ol?
The InChIKey is RVWUQHAPWDLLLB-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H28O2Si/c1-11(8-7-9-13)10-14-15(5,6)12(2,3)4/h11,13H,7-10H2,1-6H3.
What are the key properties of 5-[tert-butyl(dimethyl)silyl]oxy-4-methylpentan-1-ol?
5-[tert-butyl(dimethyl)silyl]oxy-4-methylpentan-1-ol has a molecular weight of 232.44 g/mol, XLogP of 3.42, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[tert-butyl(dimethyl)silyl]oxy-4-methylpentan-1-ol is sourced from PubChem (CID 14758907), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).