3-[[tert-butyl(dimethyl)silyl]oxymethyl]hexane-1,5-diol

C13H30O3Si — CID 174174824

IUPAC3-[[tert-butyl(dimethyl)silyl]oxymethyl]hexane-1,5-diol
SMILESCC(O)CC(CCO)CO[Si](C)(C)C(C)(C)C
InChIInChI=1S/C13H30O3Si/c1-11(15)9-12(7-8-14)10-16-17(5,6)13(2,3)4/h11-12,14-15H,7-10H2,1-6H3
InChIKeyMDWLHEZQUMGAQA-UHFFFAOYSA-N
MW262.47 g/mol
LogP2.78
Rot. Bonds7

About 3-[[tert-butyl(dimethyl)silyl]oxymethyl]hexane-1,5-diol

3-[[tert-butyl(dimethyl)silyl]oxymethyl]hexane-1,5-diol (PubChem CID 174174824) has the molecular formula C13H30O3Si and a molecular weight of 262.47 g/mol. Its IUPAC name is 3-[[tert-butyl(dimethyl)silyl]oxymethyl]hexane-1,5-diol.

Molecular Properties

Compound Name3-[[tert-butyl(dimethyl)silyl]oxymethyl]hexane-1,5-diol
PubChem CID174174824
Molecular FormulaC13H30O3Si
Molecular Weight262.47 g/mol
Exact Mass262.20
IUPAC Name3-[[tert-butyl(dimethyl)silyl]oxymethyl]hexane-1,5-diol
SMILESCC(O)CC(CCO)CO[Si](C)(C)C(C)(C)C
InChIInChI=1S/C13H30O3Si/c1-11(15)9-12(7-8-14)10-16-17(5,6)13(2,3)4/h11-12,14-15H,7-10H2,1-6H3
InChIKeyMDWLHEZQUMGAQA-UHFFFAOYSA-N
XLogP2.78
TPSA49.69 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500262.47
LogP ≤ 52.78
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

1-[tert-butyl(dimethyl)silyl]oxypropan-2-ol
CID 13175134
5-[tert-butyl(dimethyl)silyl]oxy-4-methylpentan-1-ol
CID 14758907
1-[tert-butyl(dimethyl)silyl]oxy-3-methylbutan-2-ol
CID 14336173
1-[tert-butyl(dimethyl)silyl]oxypentan-2-ol
CID 10608878
(2R,3R,4R,5R)-1,6-bis[[tert-butyl(dimethyl)silyl]oxy]hexane-2,3,4,5-tetrol
CID 11486689
(2S)-1-[tert-butyl(dimethyl)silyl]oxybutan-2-ol
CID 86606837
(3R)-3-[2-[tert-butyl(dimethyl)silyl]oxyethyl]-4-methylpentan-1-ol
CID 10467808
[2-bromo-3-[tert-butyl(dimethyl)silyl]oxypropoxy]-tert-butyl-dimethylsilane
CID 125380572
3-[tert-butyl(dimethyl)silyl]oxybutan-1-ol
CID 554645
propan-2-yl 5-[tert-butyl(dimethyl)silyl]oxy-4-[[tert-butyl(dimethyl)silyl]oxymethyl]pentanoate
CID 167430533
(2S)-1-[tert-butyl(dimethyl)silyl]oxy-5-methylhexane-2,5-diol
CID 71386840
(2S)-1,5-bis[[tert-butyl(dimethyl)silyl]oxy]pentan-2-ol
CID 163365178

Frequently Asked Questions

What is the IUPAC name of 3-[[tert-butyl(dimethyl)silyl]oxymethyl]hexane-1,5-diol?
The IUPAC name of 3-[[tert-butyl(dimethyl)silyl]oxymethyl]hexane-1,5-diol (CID 174174824) is 3-[[tert-butyl(dimethyl)silyl]oxymethyl]hexane-1,5-diol.
What is the SMILES notation for 3-[[tert-butyl(dimethyl)silyl]oxymethyl]hexane-1,5-diol?
The canonical SMILES for 3-[[tert-butyl(dimethyl)silyl]oxymethyl]hexane-1,5-diol is CC(O)CC(CCO)CO[Si](C)(C)C(C)(C)C.
What is the InChIKey of 3-[[tert-butyl(dimethyl)silyl]oxymethyl]hexane-1,5-diol?
The InChIKey is MDWLHEZQUMGAQA-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H30O3Si/c1-11(15)9-12(7-8-14)10-16-17(5,6)13(2,3)4/h11-12,14-15H,7-10H2,1-6H3.
What are the key properties of 3-[[tert-butyl(dimethyl)silyl]oxymethyl]hexane-1,5-diol?
3-[[tert-butyl(dimethyl)silyl]oxymethyl]hexane-1,5-diol has a molecular weight of 262.47 g/mol, XLogP of 2.78, 7 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[[tert-butyl(dimethyl)silyl]oxymethyl]hexane-1,5-diol is sourced from PubChem (CID 174174824), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).