(E,2S)-1-[tert-butyl(dimethyl)silyl]oxy-4-ethoxybut-3-en-2-ol

C12H26O3Si — CID 102511744

IUPAC(E,2S)-1-[tert-butyl(dimethyl)silyl]oxy-4-ethoxybut-3-en-2-ol
SMILESCCO/C=C/[C@H](O)CO[Si](C)(C)C(C)(C)C
InChIInChI=1S/C12H26O3Si/c1-7-14-9-8-11(13)10-15-16(5,6)12(2,3)4/h8-9,11,13H,7,10H2,1-6H3/b9-8+/t11-/m0/s1
InChIKeyIPLPVRYISILMSI-FBOQAHMBSA-N
MW246.42 g/mol
LogP2.92
Rot. Bonds6

About (E,2S)-1-[tert-butyl(dimethyl)silyl]oxy-4-ethoxybut-3-en-2-ol

(E,2S)-1-[tert-butyl(dimethyl)silyl]oxy-4-ethoxybut-3-en-2-ol (PubChem CID 102511744) has the molecular formula C12H26O3Si and a molecular weight of 246.42 g/mol. Its IUPAC name is (E,2S)-1-[tert-butyl(dimethyl)silyl]oxy-4-ethoxybut-3-en-2-ol.

Molecular Properties

Compound Name(E,2S)-1-[tert-butyl(dimethyl)silyl]oxy-4-ethoxybut-3-en-2-ol
PubChem CID102511744
Molecular FormulaC12H26O3Si
Molecular Weight246.42 g/mol
Exact Mass246.17
IUPAC Name(E,2S)-1-[tert-butyl(dimethyl)silyl]oxy-4-ethoxybut-3-en-2-ol
SMILESCCO/C=C/[C@H](O)CO[Si](C)(C)C(C)(C)C
InChIInChI=1S/C12H26O3Si/c1-7-14-9-8-11(13)10-15-16(5,6)12(2,3)4/h8-9,11,13H,7,10H2,1-6H3/b9-8+/t11-/m0/s1
InChIKeyIPLPVRYISILMSI-FBOQAHMBSA-N
XLogP2.92
TPSA38.69 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500246.42
LogP ≤ 52.92
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'acyclic_C=C-O', 'substructure': 'N/A'}, {'alert_name': 'heavy_metal', 'substructure': 'N/A'}

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Related Compounds

(Z,2S,6R)-1-[tert-butyl(dimethyl)silyl]oxyoct-3-ene-2,6-diol
CID 10707504
(E,2S)-1-[tert-butyl(dimethyl)silyl]oxy-5-trichlorostannylpent-3-en-2-ol
CID 10646755
(2S,3Z,6S)-1-[tert-butyl(dimethyl)silyl]oxyocta-3,7-diene-2,6-diol
CID 10540140
(2S)-1-[tert-butyl(dimethyl)silyl]oxybutan-2-ol
CID 86606837
(E)-1-[tert-butyl(dimethyl)silyl]oxy-4-phenylbut-3-en-2-ol
CID 11587217
1-[tert-butyl(dimethyl)silyl]oxypropan-2-ol
CID 13175134
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
methyl (2S)-3-[tert-butyl(dimethyl)silyl]oxy-2-prop-2-enoxypropanoate
CID 140509933
1-[tert-butyl(dimethyl)silyl]oxy-3-methylbutan-2-ol
CID 14336173
[(2R)-1-[tert-butyl(dimethyl)silyl]oxybut-3-en-2-yl] methyl carbonate
CID 102073389
(2S)-1-[tert-butyl(dimethyl)silyl]oxypent-4-en-2-ol
CID 11148647

Frequently Asked Questions

What is the IUPAC name of (E,2S)-1-[tert-butyl(dimethyl)silyl]oxy-4-ethoxybut-3-en-2-ol?
The IUPAC name of (E,2S)-1-[tert-butyl(dimethyl)silyl]oxy-4-ethoxybut-3-en-2-ol (CID 102511744) is (E,2S)-1-[tert-butyl(dimethyl)silyl]oxy-4-ethoxybut-3-en-2-ol.
What is the SMILES notation for (E,2S)-1-[tert-butyl(dimethyl)silyl]oxy-4-ethoxybut-3-en-2-ol?
The canonical SMILES for (E,2S)-1-[tert-butyl(dimethyl)silyl]oxy-4-ethoxybut-3-en-2-ol is CCO/C=C/[C@H](O)CO[Si](C)(C)C(C)(C)C.
What is the InChIKey of (E,2S)-1-[tert-butyl(dimethyl)silyl]oxy-4-ethoxybut-3-en-2-ol?
The InChIKey is IPLPVRYISILMSI-FBOQAHMBSA-N. The full InChI is InChI=1S/C12H26O3Si/c1-7-14-9-8-11(13)10-15-16(5,6)12(2,3)4/h8-9,11,13H,7,10H2,1-6H3/b9-8+/t11-/m0/s1.
What are the key properties of (E,2S)-1-[tert-butyl(dimethyl)silyl]oxy-4-ethoxybut-3-en-2-ol?
(E,2S)-1-[tert-butyl(dimethyl)silyl]oxy-4-ethoxybut-3-en-2-ol has a molecular weight of 246.42 g/mol, XLogP of 2.92, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (E,2S)-1-[tert-butyl(dimethyl)silyl]oxy-4-ethoxybut-3-en-2-ol is sourced from PubChem (CID 102511744), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).