(E,2S)-1-[tert-butyl(dimethyl)silyl]oxy-6-(oxan-2-yloxy)hex-4-en-2-ol

C17H34O4Si — CID 53309485

IUPAC(E,2S)-1-[tert-butyl(dimethyl)silyl]oxy-6-(oxan-2-yloxy)hex-4-en-2-ol
SMILESCC(C)(C)[Si](C)(C)OC[C@@H](O)C/C=C/COC1CCCCO1
InChIInChI=1S/C17H34O4Si/c1-17(2,3)22(4,5)21-14-15(18)10-6-8-12-19-16-11-7-9-13-20-16/h6,8,15-16,18H,7,9-14H2,1-5H3/b8-6+/t15-,16?/m0/s1
InChIKeyWKFVRPDSWOVFBJ-IINLWYKGSA-N
MW330.54 g/mol
LogP3.86
Rot. Bonds8

About (E,2S)-1-[tert-butyl(dimethyl)silyl]oxy-6-(oxan-2-yloxy)hex-4-en-2-ol

(E,2S)-1-[tert-butyl(dimethyl)silyl]oxy-6-(oxan-2-yloxy)hex-4-en-2-ol (PubChem CID 53309485) has the molecular formula C17H34O4Si and a molecular weight of 330.54 g/mol. Its IUPAC name is (E,2S)-1-[tert-butyl(dimethyl)silyl]oxy-6-(oxan-2-yloxy)hex-4-en-2-ol.

Molecular Properties

Compound Name(E,2S)-1-[tert-butyl(dimethyl)silyl]oxy-6-(oxan-2-yloxy)hex-4-en-2-ol
PubChem CID53309485
Molecular FormulaC17H34O4Si
Molecular Weight330.54 g/mol
Exact Mass330.22
IUPAC Name(E,2S)-1-[tert-butyl(dimethyl)silyl]oxy-6-(oxan-2-yloxy)hex-4-en-2-ol
SMILESCC(C)(C)[Si](C)(C)OC[C@@H](O)C/C=C/COC1CCCCO1
InChIInChI=1S/C17H34O4Si/c1-17(2,3)22(4,5)21-14-15(18)10-6-8-12-19-16-11-7-9-13-20-16/h6,8,15-16,18H,7,9-14H2,1-5H3/b8-6+/t15-,16?/m0/s1
InChIKeyWKFVRPDSWOVFBJ-IINLWYKGSA-N
XLogP3.86
TPSA47.92 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500330.54
LogP ≤ 53.86
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,2S)-1-[tert-butyl(dimethyl)silyl]oxy-6-(oxan-2-yloxy)hex-4-en-2-ol?
The IUPAC name of (E,2S)-1-[tert-butyl(dimethyl)silyl]oxy-6-(oxan-2-yloxy)hex-4-en-2-ol (CID 53309485) is (E,2S)-1-[tert-butyl(dimethyl)silyl]oxy-6-(oxan-2-yloxy)hex-4-en-2-ol.
What is the SMILES notation for (E,2S)-1-[tert-butyl(dimethyl)silyl]oxy-6-(oxan-2-yloxy)hex-4-en-2-ol?
The canonical SMILES for (E,2S)-1-[tert-butyl(dimethyl)silyl]oxy-6-(oxan-2-yloxy)hex-4-en-2-ol is CC(C)(C)[Si](C)(C)OC[C@@H](O)C/C=C/COC1CCCCO1.
What is the InChIKey of (E,2S)-1-[tert-butyl(dimethyl)silyl]oxy-6-(oxan-2-yloxy)hex-4-en-2-ol?
The InChIKey is WKFVRPDSWOVFBJ-IINLWYKGSA-N. The full InChI is InChI=1S/C17H34O4Si/c1-17(2,3)22(4,5)21-14-15(18)10-6-8-12-19-16-11-7-9-13-20-16/h6,8,15-16,18H,7,9-14H2,1-5H3/b8-6+/t15-,16?/m0/s1.
What are the key properties of (E,2S)-1-[tert-butyl(dimethyl)silyl]oxy-6-(oxan-2-yloxy)hex-4-en-2-ol?
(E,2S)-1-[tert-butyl(dimethyl)silyl]oxy-6-(oxan-2-yloxy)hex-4-en-2-ol has a molecular weight of 330.54 g/mol, XLogP of 3.86, 8 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (E,2S)-1-[tert-butyl(dimethyl)silyl]oxy-6-(oxan-2-yloxy)hex-4-en-2-ol is sourced from PubChem (CID 53309485), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).