(E,4R,5S)-8-[tert-butyl(dimethyl)silyl]oxy-5-ethenyloct-2-en-4-ol

C16H32O2Si — CID 23253498

IUPAC(E,4R,5S)-8-[tert-butyl(dimethyl)silyl]oxy-5-ethenyloct-2-en-4-ol
SMILESC=C[C@H](CCCO[Si](C)(C)C(C)(C)C)[C@H](O)/C=C/C
InChIInChI=1S/C16H32O2Si/c1-8-11-15(17)14(9-2)12-10-13-18-19(6,7)16(3,4)5/h8-9,11,14-15,17H,2,10,12-13H2,1,3-7H3/b11-8+/t14-,15-/m1/s1
InChIKeyFFTWSXWWKOBKLY-UHUXCJHTSA-N
MW284.52 g/mol
LogP4.53
Rot. Bonds8

About (E,4R,5S)-8-[tert-butyl(dimethyl)silyl]oxy-5-ethenyloct-2-en-4-ol

(E,4R,5S)-8-[tert-butyl(dimethyl)silyl]oxy-5-ethenyloct-2-en-4-ol (PubChem CID 23253498) has the molecular formula C16H32O2Si and a molecular weight of 284.52 g/mol. Its IUPAC name is (E,4R,5S)-8-[tert-butyl(dimethyl)silyl]oxy-5-ethenyloct-2-en-4-ol.

Molecular Properties

Compound Name(E,4R,5S)-8-[tert-butyl(dimethyl)silyl]oxy-5-ethenyloct-2-en-4-ol
PubChem CID23253498
Molecular FormulaC16H32O2Si
Molecular Weight284.52 g/mol
Exact Mass284.22
IUPAC Name(E,4R,5S)-8-[tert-butyl(dimethyl)silyl]oxy-5-ethenyloct-2-en-4-ol
SMILESC=C[C@H](CCCO[Si](C)(C)C(C)(C)C)[C@H](O)/C=C/C
InChIInChI=1S/C16H32O2Si/c1-8-11-15(17)14(9-2)12-10-13-18-19(6,7)16(3,4)5/h8-9,11,14-15,17H,2,10,12-13H2,1,3-7H3/b11-8+/t14-,15-/m1/s1
InChIKeyFFTWSXWWKOBKLY-UHUXCJHTSA-N
XLogP4.53
TPSA29.46 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds8
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500284.52
LogP ≤ 54.53
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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'}

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Related Compounds

(3R)-6-[tert-butyl(dimethyl)silyl]oxyhex-1-en-3-ol
CID 45101596
(3R)-6-[tert-butyl(dimethyl)silyl]oxyhex-1-en-3-amine
CID 121015221
1-amino-5-[tert-butyl(dimethyl)silyl]oxypentan-2-ol
CID 101445135
(2S)-1,5-bis[[tert-butyl(dimethyl)silyl]oxy]pentan-2-ol
CID 163365178
(3S,4S)-1-[tert-butyl(dimethyl)silyl]oxy-4-methylhex-5-en-3-ol
CID 11425088
(3R,4S,5R)-4-[4-[tert-butyl(dimethyl)silyl]oxybutoxy]oct-1-en-7-yne-3,5-diol
CID 11325348
(3S)-5-[tert-butyl(dimethyl)silyl]oxypent-1-en-3-amine
CID 125493831
(2E,4R,5S,6E)-5-[tert-butyl(dimethyl)silyl]oxyocta-2,6-dien-4-ol
CID 10706254
(3S,4R)-7-[tert-butyl(dimethyl)silyl]oxy-3-(2-methoxyethoxymethoxy)hept-1-en-4-ol
CID 123553696
tert-butyl-[(E)-hex-4-enoxy]-dimethylsilane
CID 15936622
tert-butyl-dimethyl-octadec-17-enoxysilane
CID 24879926
tert-butyl-dimethyl-[(4R,6E,8E,10E)-4-methyldodeca-6,8,10-trienoxy]silane
CID 11312882

Frequently Asked Questions

What is the IUPAC name of (E,4R,5S)-8-[tert-butyl(dimethyl)silyl]oxy-5-ethenyloct-2-en-4-ol?
The IUPAC name of (E,4R,5S)-8-[tert-butyl(dimethyl)silyl]oxy-5-ethenyloct-2-en-4-ol (CID 23253498) is (E,4R,5S)-8-[tert-butyl(dimethyl)silyl]oxy-5-ethenyloct-2-en-4-ol.
What is the SMILES notation for (E,4R,5S)-8-[tert-butyl(dimethyl)silyl]oxy-5-ethenyloct-2-en-4-ol?
The canonical SMILES for (E,4R,5S)-8-[tert-butyl(dimethyl)silyl]oxy-5-ethenyloct-2-en-4-ol is C=C[C@H](CCCO[Si](C)(C)C(C)(C)C)[C@H](O)/C=C/C.
What is the InChIKey of (E,4R,5S)-8-[tert-butyl(dimethyl)silyl]oxy-5-ethenyloct-2-en-4-ol?
The InChIKey is FFTWSXWWKOBKLY-UHUXCJHTSA-N. The full InChI is InChI=1S/C16H32O2Si/c1-8-11-15(17)14(9-2)12-10-13-18-19(6,7)16(3,4)5/h8-9,11,14-15,17H,2,10,12-13H2,1,3-7H3/b11-8+/t14-,15-/m1/s1.
What are the key properties of (E,4R,5S)-8-[tert-butyl(dimethyl)silyl]oxy-5-ethenyloct-2-en-4-ol?
(E,4R,5S)-8-[tert-butyl(dimethyl)silyl]oxy-5-ethenyloct-2-en-4-ol has a molecular weight of 284.52 g/mol, XLogP of 4.53, 8 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (E,4R,5S)-8-[tert-butyl(dimethyl)silyl]oxy-5-ethenyloct-2-en-4-ol is sourced from PubChem (CID 23253498), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).