1-[tert-butyl(dimethyl)silyl]oxy-3-fluoro-3,7-dimethyloct-6-en-2-ol

C16H33FO2Si — CID 15092897

IUPAC1-[tert-butyl(dimethyl)silyl]oxy-3-fluoro-3,7-dimethyloct-6-en-2-ol
SMILESCC(C)=CCCC(C)(F)C(O)CO[Si](C)(C)C(C)(C)C
InChIInChI=1S/C16H33FO2Si/c1-13(2)10-9-11-16(6,17)14(18)12-19-20(7,8)15(3,4)5/h10,14,18H,9,11-12H2,1-8H3
InChIKeyXRLZPZPEGWXWIN-UHFFFAOYSA-N
MW304.52 g/mol
LogP4.84
Rot. Bonds7

About 1-[tert-butyl(dimethyl)silyl]oxy-3-fluoro-3,7-dimethyloct-6-en-2-ol

1-[tert-butyl(dimethyl)silyl]oxy-3-fluoro-3,7-dimethyloct-6-en-2-ol (PubChem CID 15092897) has the molecular formula C16H33FO2Si and a molecular weight of 304.52 g/mol. Its IUPAC name is 1-[tert-butyl(dimethyl)silyl]oxy-3-fluoro-3,7-dimethyloct-6-en-2-ol.

Molecular Properties

Compound Name1-[tert-butyl(dimethyl)silyl]oxy-3-fluoro-3,7-dimethyloct-6-en-2-ol
PubChem CID15092897
Molecular FormulaC16H33FO2Si
Molecular Weight304.52 g/mol
Exact Mass304.22
IUPAC Name1-[tert-butyl(dimethyl)silyl]oxy-3-fluoro-3,7-dimethyloct-6-en-2-ol
SMILESCC(C)=CCCC(C)(F)C(O)CO[Si](C)(C)C(C)(C)C
InChIInChI=1S/C16H33FO2Si/c1-13(2)10-9-11-16(6,17)14(18)12-19-20(7,8)15(3,4)5/h10,14,18H,9,11-12H2,1-8H3
InChIKeyXRLZPZPEGWXWIN-UHFFFAOYSA-N
XLogP4.84
TPSA29.46 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500304.52
LogP ≤ 54.84
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

(2R,3S)-3-fluoro-3,7-dimethyloct-6-ene-1,2-diol
CID 15881149
(1S,2R)-1-ethyl-5-tri(propan-2-yl)silyloxycyclohex-4-ene-1,2-diol
CID 53329014
(E)-6-[tert-butyl(dimethyl)silyl]oxy-4-propan-2-ylhept-4-en-1-ol
CID 135044249
(3R)-3-[tert-butyl(dimethyl)silyl]oxy-3,7-dimethyloct-6-en-1-ol
CID 14322955
3,3,5,8,8-Pentamethyl-11-tri(propan-2-yl)silyloxyundec-5-en-1-ol
CID 123989502
(E,5R,7S)-7-[tert-butyl(dimethyl)silyl]oxy-2,5-dimethyloct-2-en-1-ol
CID 173556373
(E,4R,5S)-4-[tert-butyl(dimethyl)silyl]oxy-2,5,7-trimethyloct-2-en-1-ol
CID 173556437
(3R,4R)-4-[tert-butyl(dimethyl)silyl]oxy-3,7-dimethyloct-6-en-1-ol
CID 10541239
(2S,3S,4R)-3-[tert-butyl(dimethyl)silyl]oxy-2,4,8-trimethylnon-7-en-1-ol
CID 10567302
(E)-8-[tert-butyl(dimethyl)silyl]oxy-2,6-dimethyloct-6-ene-2,3-diol
CID 10685808
(E,2S,3R,4S,5S)-5-[tert-butyl(dimethyl)silyl]oxy-4,6-dimethyloct-6-ene-2,3-diol
CID 11044872
(Z,2R,3S,4S,5R)-3,5-dimethyl-1-tri(propan-2-yl)silyloxyoct-6-ene-2,4-diol
CID 11142486

Frequently Asked Questions

What is the IUPAC name of 1-[tert-butyl(dimethyl)silyl]oxy-3-fluoro-3,7-dimethyloct-6-en-2-ol?
The IUPAC name of 1-[tert-butyl(dimethyl)silyl]oxy-3-fluoro-3,7-dimethyloct-6-en-2-ol (CID 15092897) is 1-[tert-butyl(dimethyl)silyl]oxy-3-fluoro-3,7-dimethyloct-6-en-2-ol.
What is the SMILES notation for 1-[tert-butyl(dimethyl)silyl]oxy-3-fluoro-3,7-dimethyloct-6-en-2-ol?
The canonical SMILES for 1-[tert-butyl(dimethyl)silyl]oxy-3-fluoro-3,7-dimethyloct-6-en-2-ol is CC(C)=CCCC(C)(F)C(O)CO[Si](C)(C)C(C)(C)C.
What is the InChIKey of 1-[tert-butyl(dimethyl)silyl]oxy-3-fluoro-3,7-dimethyloct-6-en-2-ol?
The InChIKey is XRLZPZPEGWXWIN-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H33FO2Si/c1-13(2)10-9-11-16(6,17)14(18)12-19-20(7,8)15(3,4)5/h10,14,18H,9,11-12H2,1-8H3.
What are the key properties of 1-[tert-butyl(dimethyl)silyl]oxy-3-fluoro-3,7-dimethyloct-6-en-2-ol?
1-[tert-butyl(dimethyl)silyl]oxy-3-fluoro-3,7-dimethyloct-6-en-2-ol has a molecular weight of 304.52 g/mol, XLogP of 4.84, 7 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[tert-butyl(dimethyl)silyl]oxy-3-fluoro-3,7-dimethyloct-6-en-2-ol is sourced from PubChem (CID 15092897), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).