(E,1S)-6-[tert-butyl(dimethyl)silyl]oxy-1-[(2S)-oxiran-2-yl]hex-3-en-1-ol

C14H28O3Si — CID 11737368

IUPAC(E,1S)-6-[tert-butyl(dimethyl)silyl]oxy-1-[(2S)-oxiran-2-yl]hex-3-en-1-ol
SMILESCC(C)(C)[Si](C)(C)OCC/C=C/C[C@H](O)[C@@H]1CO1
InChIInChI=1S/C14H28O3Si/c1-14(2,3)18(4,5)17-10-8-6-7-9-12(15)13-11-16-13/h6-7,12-13,15H,8-11H2,1-5H3/b7-6+/t12-,13-/m0/s1
InChIKeyLPHGYRXZNBPRLN-XKZLPGLHSA-N
MW272.46 g/mol
LogP3.10
Rot. Bonds7

About (E,1S)-6-[tert-butyl(dimethyl)silyl]oxy-1-[(2S)-oxiran-2-yl]hex-3-en-1-ol

(E,1S)-6-[tert-butyl(dimethyl)silyl]oxy-1-[(2S)-oxiran-2-yl]hex-3-en-1-ol (PubChem CID 11737368) has the molecular formula C14H28O3Si and a molecular weight of 272.46 g/mol. Its IUPAC name is (E,1S)-6-[tert-butyl(dimethyl)silyl]oxy-1-[(2S)-oxiran-2-yl]hex-3-en-1-ol.

Molecular Properties

Compound Name(E,1S)-6-[tert-butyl(dimethyl)silyl]oxy-1-[(2S)-oxiran-2-yl]hex-3-en-1-ol
PubChem CID11737368
Molecular FormulaC14H28O3Si
Molecular Weight272.46 g/mol
Exact Mass272.18
IUPAC Name(E,1S)-6-[tert-butyl(dimethyl)silyl]oxy-1-[(2S)-oxiran-2-yl]hex-3-en-1-ol
SMILESCC(C)(C)[Si](C)(C)OCC/C=C/C[C@H](O)[C@@H]1CO1
InChIInChI=1S/C14H28O3Si/c1-14(2,3)18(4,5)17-10-8-6-7-9-12(15)13-11-16-13/h6-7,12-13,15H,8-11H2,1-5H3/b7-6+/t12-,13-/m0/s1
InChIKeyLPHGYRXZNBPRLN-XKZLPGLHSA-N
XLogP3.10
TPSA41.99 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500272.46
LogP ≤ 53.10
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'heavy_metal', 'substructure': 'N/A'}, {'alert_name': 'isolated_alkene', 'substructure': 'N/A'}, {'alert_name': 'Three-membered_heterocycle', 'substructure': 'N/A'}

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Related Compounds

(1R,6S)-6-[tert-butyl(dimethyl)silyl]oxycyclohex-3-en-1-ol
CID 10823268
(1S,6R)-6-[tert-butyl(dimethyl)silyl]oxycyclohex-3-en-1-ol
CID 58012739
(E,1R)-1-[(2R)-2-[2-[tert-butyl(dimethyl)silyl]oxyethyl]oxiran-2-yl]but-2-en-1-ol
CID 44466532
(E,2R)-1-[tert-butyl(dimethyl)silyl]oxyhept-4-en-2-ol
CID 102380375
[3-[(3Z,6Z)-1,9-bis[[tert-butyl(dimethyl)silyl]oxy]nona-3,6-dienyl]oxiran-2-yl]-trimethylsilane
CID 138968658
tert-butyl-dimethyl-[(1S,3Z)-1-[(2S,3S)-3-trimethylsilyloxiran-2-yl]hepta-3,6-dienoxy]silane
CID 138968662
(1S,3Z,6Z)-9-[tert-butyl(dimethyl)silyl]oxy-1-[(2S,3S)-3-trimethylsilyloxiran-2-yl]nona-3,6-dien-1-ol
CID 138968873
(1R,3Z,6Z)-9-[tert-butyl(dimethyl)silyl]oxy-1-[(2R,3R)-3-trimethylsilyloxiran-2-yl]nona-3,6-dien-1-ol
CID 138968875
[(2S,3S)-3-[(1S,3Z,6Z)-1,9-bis[[tert-butyl(dimethyl)silyl]oxy]nona-3,6-dienyl]oxiran-2-yl]-trimethylsilane
CID 138968876
(Z,1S)-1-[(2S,3S)-3-trimethylsilyloxiran-2-yl]hex-3-en-1-ol
CID 138981692
(1S,3Z,6Z)-1-[(2S,3S)-3-trimethylsilyloxiran-2-yl]nona-3,6-dien-1-ol
CID 138982240
(Z,1R)-1-[(2R,3R)-3-trimethylsilyloxiran-2-yl]hex-3-en-1-ol
CID 146161480

Frequently Asked Questions

What is the IUPAC name of (E,1S)-6-[tert-butyl(dimethyl)silyl]oxy-1-[(2S)-oxiran-2-yl]hex-3-en-1-ol?
The IUPAC name of (E,1S)-6-[tert-butyl(dimethyl)silyl]oxy-1-[(2S)-oxiran-2-yl]hex-3-en-1-ol (CID 11737368) is (E,1S)-6-[tert-butyl(dimethyl)silyl]oxy-1-[(2S)-oxiran-2-yl]hex-3-en-1-ol.
What is the SMILES notation for (E,1S)-6-[tert-butyl(dimethyl)silyl]oxy-1-[(2S)-oxiran-2-yl]hex-3-en-1-ol?
The canonical SMILES for (E,1S)-6-[tert-butyl(dimethyl)silyl]oxy-1-[(2S)-oxiran-2-yl]hex-3-en-1-ol is CC(C)(C)[Si](C)(C)OCC/C=C/C[C@H](O)[C@@H]1CO1.
What is the InChIKey of (E,1S)-6-[tert-butyl(dimethyl)silyl]oxy-1-[(2S)-oxiran-2-yl]hex-3-en-1-ol?
The InChIKey is LPHGYRXZNBPRLN-XKZLPGLHSA-N. The full InChI is InChI=1S/C14H28O3Si/c1-14(2,3)18(4,5)17-10-8-6-7-9-12(15)13-11-16-13/h6-7,12-13,15H,8-11H2,1-5H3/b7-6+/t12-,13-/m0/s1.
What are the key properties of (E,1S)-6-[tert-butyl(dimethyl)silyl]oxy-1-[(2S)-oxiran-2-yl]hex-3-en-1-ol?
(E,1S)-6-[tert-butyl(dimethyl)silyl]oxy-1-[(2S)-oxiran-2-yl]hex-3-en-1-ol has a molecular weight of 272.46 g/mol, XLogP of 3.10, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (E,1S)-6-[tert-butyl(dimethyl)silyl]oxy-1-[(2S)-oxiran-2-yl]hex-3-en-1-ol is sourced from PubChem (CID 11737368), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).