(E,2S,3S)-1-[tert-butyl(dimethyl)silyl]oxy-3-tri(propan-2-yl)silyloxyhex-4-en-2-ol

C21H46O3Si2 — CID 15182176

IUPAC(E,2S,3S)-1-[tert-butyl(dimethyl)silyl]oxy-3-tri(propan-2-yl)silyloxyhex-4-en-2-ol
SMILESC/C=C/[C@H](O[Si](C(C)C)(C(C)C)C(C)C)[C@@H](O)CO[Si](C)(C)C(C)(C)C
InChIInChI=1S/C21H46O3Si2/c1-13-14-20(19(22)15-23-25(11,12)21(8,9)10)24-26(16(2)3,17(4)5)18(6)7/h13-14,16-20,22H,15H2,1-12H3/b14-13+/t19-,20-/m0/s1
InChIKeyPDSLYLKIBWSEHH-JAPHFTBRSA-N
MW402.77 g/mol
LogP6.51
Rot. Bonds10

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

(E,2S,3S)-1-[tert-butyl(dimethyl)silyl]oxy-3-tri(propan-2-yl)silyloxyhex-4-en-2-ol (PubChem CID 15182176) has the molecular formula C21H46O3Si2 and a molecular weight of 402.77 g/mol. Its IUPAC name is (E,2S,3S)-1-[tert-butyl(dimethyl)silyl]oxy-3-tri(propan-2-yl)silyloxyhex-4-en-2-ol.

Molecular Properties

Compound Name(E,2S,3S)-1-[tert-butyl(dimethyl)silyl]oxy-3-tri(propan-2-yl)silyloxyhex-4-en-2-ol
PubChem CID15182176
Molecular FormulaC21H46O3Si2
Molecular Weight402.77 g/mol
Exact Mass402.30
IUPAC Name(E,2S,3S)-1-[tert-butyl(dimethyl)silyl]oxy-3-tri(propan-2-yl)silyloxyhex-4-en-2-ol
SMILESC/C=C/[C@H](O[Si](C(C)C)(C(C)C)C(C)C)[C@@H](O)CO[Si](C)(C)C(C)(C)C
InChIInChI=1S/C21H46O3Si2/c1-13-14-20(19(22)15-23-25(11,12)21(8,9)10)24-26(16(2)3,17(4)5)18(6)7/h13-14,16-20,22H,15H2,1-12H3/b14-13+/t19-,20-/m0/s1
InChIKeyPDSLYLKIBWSEHH-JAPHFTBRSA-N
XLogP6.51
TPSA38.69 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds10
Heavy Atoms26
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500402.77
LogP ≤ 56.51
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of (E,2S,3S)-1-[tert-butyl(dimethyl)silyl]oxy-3-tri(propan-2-yl)silyloxyhex-4-en-2-ol?
The IUPAC name of (E,2S,3S)-1-[tert-butyl(dimethyl)silyl]oxy-3-tri(propan-2-yl)silyloxyhex-4-en-2-ol (CID 15182176) is (E,2S,3S)-1-[tert-butyl(dimethyl)silyl]oxy-3-tri(propan-2-yl)silyloxyhex-4-en-2-ol.
What is the SMILES notation for (E,2S,3S)-1-[tert-butyl(dimethyl)silyl]oxy-3-tri(propan-2-yl)silyloxyhex-4-en-2-ol?
The canonical SMILES for (E,2S,3S)-1-[tert-butyl(dimethyl)silyl]oxy-3-tri(propan-2-yl)silyloxyhex-4-en-2-ol is C/C=C/[C@H](O[Si](C(C)C)(C(C)C)C(C)C)[C@@H](O)CO[Si](C)(C)C(C)(C)C.
What is the InChIKey of (E,2S,3S)-1-[tert-butyl(dimethyl)silyl]oxy-3-tri(propan-2-yl)silyloxyhex-4-en-2-ol?
The InChIKey is PDSLYLKIBWSEHH-JAPHFTBRSA-N. The full InChI is InChI=1S/C21H46O3Si2/c1-13-14-20(19(22)15-23-25(11,12)21(8,9)10)24-26(16(2)3,17(4)5)18(6)7/h13-14,16-20,22H,15H2,1-12H3/b14-13+/t19-,20-/m0/s1.
What are the key properties of (E,2S,3S)-1-[tert-butyl(dimethyl)silyl]oxy-3-tri(propan-2-yl)silyloxyhex-4-en-2-ol?
(E,2S,3S)-1-[tert-butyl(dimethyl)silyl]oxy-3-tri(propan-2-yl)silyloxyhex-4-en-2-ol has a molecular weight of 402.77 g/mol, XLogP of 6.51, 10 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (E,2S,3S)-1-[tert-butyl(dimethyl)silyl]oxy-3-tri(propan-2-yl)silyloxyhex-4-en-2-ol is sourced from PubChem (CID 15182176), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).