(E)-3-[(4R,5S)-4-[2-[tert-butyl(dimethyl)silyl]oxyethyl]-2,2-dimethyl-1,3-dioxan-5-yl]prop-2-en-1-ol

C17H34O4Si — CID 10871251

IUPAC(E)-3-[(4R,5S)-4-[2-[tert-butyl(dimethyl)silyl]oxyethyl]-2,2-dimethyl-1,3-dioxan-5-yl]prop-2-en-1-ol
SMILESCC1(C)OC[C@H](/C=C/CO)[C@@H](CCO[Si](C)(C)C(C)(C)C)O1
InChIInChI=1S/C17H34O4Si/c1-16(2,3)22(6,7)20-12-10-15-14(9-8-11-18)13-19-17(4,5)21-15/h8-9,14-15,18H,10-13H2,1-7H3/b9-8+/t14-,15+/m0/s1
InChIKeyXXHJBRSVZNWVCO-MATWNZDUSA-N
MW330.54 g/mol
LogP3.71
Rot. Bonds6

About (E)-3-[(4R,5S)-4-[2-[tert-butyl(dimethyl)silyl]oxyethyl]-2,2-dimethyl-1,3-dioxan-5-yl]prop-2-en-1-ol

(E)-3-[(4R,5S)-4-[2-[tert-butyl(dimethyl)silyl]oxyethyl]-2,2-dimethyl-1,3-dioxan-5-yl]prop-2-en-1-ol (PubChem CID 10871251) has the molecular formula C17H34O4Si and a molecular weight of 330.54 g/mol. Its IUPAC name is (E)-3-[(4R,5S)-4-[2-[tert-butyl(dimethyl)silyl]oxyethyl]-2,2-dimethyl-1,3-dioxan-5-yl]prop-2-en-1-ol.

Molecular Properties

Compound Name(E)-3-[(4R,5S)-4-[2-[tert-butyl(dimethyl)silyl]oxyethyl]-2,2-dimethyl-1,3-dioxan-5-yl]prop-2-en-1-ol
PubChem CID10871251
Molecular FormulaC17H34O4Si
Molecular Weight330.54 g/mol
Exact Mass330.22
IUPAC Name(E)-3-[(4R,5S)-4-[2-[tert-butyl(dimethyl)silyl]oxyethyl]-2,2-dimethyl-1,3-dioxan-5-yl]prop-2-en-1-ol
SMILESCC1(C)OC[C@H](/C=C/CO)[C@@H](CCO[Si](C)(C)C(C)(C)C)O1
InChIInChI=1S/C17H34O4Si/c1-16(2,3)22(6,7)20-12-10-15-14(9-8-11-18)13-19-17(4,5)21-15/h8-9,14-15,18H,10-13H2,1-7H3/b9-8+/t14-,15+/m0/s1
InChIKeyXXHJBRSVZNWVCO-MATWNZDUSA-N
XLogP3.71
TPSA47.92 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500330.54
LogP ≤ 53.71
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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)-3-[(4R,5S)-4-[2-[tert-butyl(dimethyl)silyl]oxyethyl]-2,2-dimethyl-1,3-dioxan-5-yl]prop-2-en-1-ol?
The IUPAC name of (E)-3-[(4R,5S)-4-[2-[tert-butyl(dimethyl)silyl]oxyethyl]-2,2-dimethyl-1,3-dioxan-5-yl]prop-2-en-1-ol (CID 10871251) is (E)-3-[(4R,5S)-4-[2-[tert-butyl(dimethyl)silyl]oxyethyl]-2,2-dimethyl-1,3-dioxan-5-yl]prop-2-en-1-ol.
What is the SMILES notation for (E)-3-[(4R,5S)-4-[2-[tert-butyl(dimethyl)silyl]oxyethyl]-2,2-dimethyl-1,3-dioxan-5-yl]prop-2-en-1-ol?
The canonical SMILES for (E)-3-[(4R,5S)-4-[2-[tert-butyl(dimethyl)silyl]oxyethyl]-2,2-dimethyl-1,3-dioxan-5-yl]prop-2-en-1-ol is CC1(C)OC[C@H](/C=C/CO)[C@@H](CCO[Si](C)(C)C(C)(C)C)O1.
What is the InChIKey of (E)-3-[(4R,5S)-4-[2-[tert-butyl(dimethyl)silyl]oxyethyl]-2,2-dimethyl-1,3-dioxan-5-yl]prop-2-en-1-ol?
The InChIKey is XXHJBRSVZNWVCO-MATWNZDUSA-N. The full InChI is InChI=1S/C17H34O4Si/c1-16(2,3)22(6,7)20-12-10-15-14(9-8-11-18)13-19-17(4,5)21-15/h8-9,14-15,18H,10-13H2,1-7H3/b9-8+/t14-,15+/m0/s1.
What are the key properties of (E)-3-[(4R,5S)-4-[2-[tert-butyl(dimethyl)silyl]oxyethyl]-2,2-dimethyl-1,3-dioxan-5-yl]prop-2-en-1-ol?
(E)-3-[(4R,5S)-4-[2-[tert-butyl(dimethyl)silyl]oxyethyl]-2,2-dimethyl-1,3-dioxan-5-yl]prop-2-en-1-ol has a molecular weight of 330.54 g/mol, XLogP of 3.71, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (E)-3-[(4R,5S)-4-[2-[tert-butyl(dimethyl)silyl]oxyethyl]-2,2-dimethyl-1,3-dioxan-5-yl]prop-2-en-1-ol is sourced from PubChem (CID 10871251), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).