3-[tert-butyl(dimethyl)silyl]oxy-2-ethylhexan-1-ol

C14H32O2Si — CID 146163917

IUPAC3-[tert-butyl(dimethyl)silyl]oxy-2-ethylhexan-1-ol
SMILESCCCC(O[Si](C)(C)C(C)(C)C)C(CC)CO
InChIInChI=1S/C14H32O2Si/c1-8-10-13(12(9-2)11-15)16-17(6,7)14(3,4)5/h12-13,15H,8-11H2,1-7H3
InChIKeyIJGVIVXFHHQYQS-UHFFFAOYSA-N
MW260.49 g/mol
LogP4.20
Rot. Bonds7

About 3-[tert-butyl(dimethyl)silyl]oxy-2-ethylhexan-1-ol

3-[tert-butyl(dimethyl)silyl]oxy-2-ethylhexan-1-ol (PubChem CID 146163917) has the molecular formula C14H32O2Si and a molecular weight of 260.49 g/mol. Its IUPAC name is 3-[tert-butyl(dimethyl)silyl]oxy-2-ethylhexan-1-ol.

Molecular Properties

Compound Name3-[tert-butyl(dimethyl)silyl]oxy-2-ethylhexan-1-ol
PubChem CID146163917
Molecular FormulaC14H32O2Si
Molecular Weight260.49 g/mol
Exact Mass260.22
IUPAC Name3-[tert-butyl(dimethyl)silyl]oxy-2-ethylhexan-1-ol
SMILESCCCC(O[Si](C)(C)C(C)(C)C)C(CC)CO
InChIInChI=1S/C14H32O2Si/c1-8-10-13(12(9-2)11-15)16-17(6,7)14(3,4)5/h12-13,15H,8-11H2,1-7H3
InChIKeyIJGVIVXFHHQYQS-UHFFFAOYSA-N
XLogP4.20
TPSA29.46 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500260.49
LogP ≤ 54.20
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

(2S,3R)-3-[tert-butyl(dimethyl)silyl]oxy-2-ethylbutan-1-ol
CID 10752078
(2S,3S,5S)-2-butyl-3,5-bis[[tert-butyl(dimethyl)silyl]oxy]heptane-1,7-diol
CID 102059206
methyl (2R,3R)-3-[tert-butyl(dimethyl)silyl]oxy-2-methylhexanoate
CID 101115916
(3R)-3-[tert-butyl(dimethyl)silyl]oxypentan-1-ol
CID 10900101
tert-butyl-dimethyl-(2-methylhex-1-en-3-yloxy)silane
CID 101446444
(5R,6S)-5-[tert-butyl(dimethyl)silyl]oxy-6-[[tert-butyl(dimethyl)silyl]oxymethyl]nonan-3-one
CID 132991372
(2S,3R)-3-[tert-butyl(dimethyl)silyl]oxy-2-methylpentanoic acid
CID 100971723
3-[tert-butyl(dimethyl)silyl]oxy-4-[methyl-[(2-methylpropan-2-yl)oxycarbonyl]amino]heptanoic acid
CID 90700845
(5R,6S)-5-[tert-butyl(dimethyl)silyl]oxy-6-[[tert-butyl(dimethyl)silyl]oxymethyl]non-1-en-3-one
CID 132991371
tert-butyl-[(6R,7S)-7-iodododecan-6-yl]oxy-dimethylsilane
CID 15315171
3-[tert-butyl(dimethyl)silyl]oxybutan-1-ol
CID 554645
tert-butyl-hex-1-en-3-yloxy-dimethylsilane
CID 11206678

Frequently Asked Questions

What is the IUPAC name of 3-[tert-butyl(dimethyl)silyl]oxy-2-ethylhexan-1-ol?
The IUPAC name of 3-[tert-butyl(dimethyl)silyl]oxy-2-ethylhexan-1-ol (CID 146163917) is 3-[tert-butyl(dimethyl)silyl]oxy-2-ethylhexan-1-ol.
What is the SMILES notation for 3-[tert-butyl(dimethyl)silyl]oxy-2-ethylhexan-1-ol?
The canonical SMILES for 3-[tert-butyl(dimethyl)silyl]oxy-2-ethylhexan-1-ol is CCCC(O[Si](C)(C)C(C)(C)C)C(CC)CO.
What is the InChIKey of 3-[tert-butyl(dimethyl)silyl]oxy-2-ethylhexan-1-ol?
The InChIKey is IJGVIVXFHHQYQS-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H32O2Si/c1-8-10-13(12(9-2)11-15)16-17(6,7)14(3,4)5/h12-13,15H,8-11H2,1-7H3.
What are the key properties of 3-[tert-butyl(dimethyl)silyl]oxy-2-ethylhexan-1-ol?
3-[tert-butyl(dimethyl)silyl]oxy-2-ethylhexan-1-ol has a molecular weight of 260.49 g/mol, XLogP of 4.20, 7 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[tert-butyl(dimethyl)silyl]oxy-2-ethylhexan-1-ol is sourced from PubChem (CID 146163917), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).