1-[tert-butyl(dimethyl)silyl]oxy-2-[(4S,5S)-5-ethenyl-2,2-dimethyl-1,3-dioxolan-4-yl]but-3-en-2-ol

C17H32O4Si — CID 11393316

IUPAC1-[tert-butyl(dimethyl)silyl]oxy-2-[(4S,5S)-5-ethenyl-2,2-dimethyl-1,3-dioxolan-4-yl]but-3-en-2-ol
SMILESC=C[C@@H]1OC(C)(C)O[C@@H]1C(O)(C=C)CO[Si](C)(C)C(C)(C)C
InChIInChI=1S/C17H32O4Si/c1-10-13-14(21-16(6,7)20-13)17(18,11-2)12-19-22(8,9)15(3,4)5/h10-11,13-14,18H,1-2,12H2,3-9H3/t13-,14-,17?/m0/s1
InChIKeyARFOYXXGEWPWLE-CBVZESEGSA-N
MW328.53 g/mol
LogP3.63
Rot. Bonds6

About 1-[tert-butyl(dimethyl)silyl]oxy-2-[(4S,5S)-5-ethenyl-2,2-dimethyl-1,3-dioxolan-4-yl]but-3-en-2-ol

1-[tert-butyl(dimethyl)silyl]oxy-2-[(4S,5S)-5-ethenyl-2,2-dimethyl-1,3-dioxolan-4-yl]but-3-en-2-ol (PubChem CID 11393316) has the molecular formula C17H32O4Si and a molecular weight of 328.53 g/mol. Its IUPAC name is 1-[tert-butyl(dimethyl)silyl]oxy-2-[(4S,5S)-5-ethenyl-2,2-dimethyl-1,3-dioxolan-4-yl]but-3-en-2-ol.

Molecular Properties

Compound Name1-[tert-butyl(dimethyl)silyl]oxy-2-[(4S,5S)-5-ethenyl-2,2-dimethyl-1,3-dioxolan-4-yl]but-3-en-2-ol
PubChem CID11393316
Molecular FormulaC17H32O4Si
Molecular Weight328.53 g/mol
Exact Mass328.21
IUPAC Name1-[tert-butyl(dimethyl)silyl]oxy-2-[(4S,5S)-5-ethenyl-2,2-dimethyl-1,3-dioxolan-4-yl]but-3-en-2-ol
SMILESC=C[C@@H]1OC(C)(C)O[C@@H]1C(O)(C=C)CO[Si](C)(C)C(C)(C)C
InChIInChI=1S/C17H32O4Si/c1-10-13-14(21-16(6,7)20-13)17(18,11-2)12-19-22(8,9)15(3,4)5/h10-11,13-14,18H,1-2,12H2,3-9H3/t13-,14-,17?/m0/s1
InChIKeyARFOYXXGEWPWLE-CBVZESEGSA-N
XLogP3.63
TPSA47.92 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500328.53
LogP ≤ 53.63
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 1-[tert-butyl(dimethyl)silyl]oxy-2-[(4S,5S)-5-ethenyl-2,2-dimethyl-1,3-dioxolan-4-yl]but-3-en-2-ol?
The IUPAC name of 1-[tert-butyl(dimethyl)silyl]oxy-2-[(4S,5S)-5-ethenyl-2,2-dimethyl-1,3-dioxolan-4-yl]but-3-en-2-ol (CID 11393316) is 1-[tert-butyl(dimethyl)silyl]oxy-2-[(4S,5S)-5-ethenyl-2,2-dimethyl-1,3-dioxolan-4-yl]but-3-en-2-ol.
What is the SMILES notation for 1-[tert-butyl(dimethyl)silyl]oxy-2-[(4S,5S)-5-ethenyl-2,2-dimethyl-1,3-dioxolan-4-yl]but-3-en-2-ol?
The canonical SMILES for 1-[tert-butyl(dimethyl)silyl]oxy-2-[(4S,5S)-5-ethenyl-2,2-dimethyl-1,3-dioxolan-4-yl]but-3-en-2-ol is C=C[C@@H]1OC(C)(C)O[C@@H]1C(O)(C=C)CO[Si](C)(C)C(C)(C)C.
What is the InChIKey of 1-[tert-butyl(dimethyl)silyl]oxy-2-[(4S,5S)-5-ethenyl-2,2-dimethyl-1,3-dioxolan-4-yl]but-3-en-2-ol?
The InChIKey is ARFOYXXGEWPWLE-CBVZESEGSA-N. The full InChI is InChI=1S/C17H32O4Si/c1-10-13-14(21-16(6,7)20-13)17(18,11-2)12-19-22(8,9)15(3,4)5/h10-11,13-14,18H,1-2,12H2,3-9H3/t13-,14-,17?/m0/s1.
What are the key properties of 1-[tert-butyl(dimethyl)silyl]oxy-2-[(4S,5S)-5-ethenyl-2,2-dimethyl-1,3-dioxolan-4-yl]but-3-en-2-ol?
1-[tert-butyl(dimethyl)silyl]oxy-2-[(4S,5S)-5-ethenyl-2,2-dimethyl-1,3-dioxolan-4-yl]but-3-en-2-ol has a molecular weight of 328.53 g/mol, XLogP of 3.63, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[tert-butyl(dimethyl)silyl]oxy-2-[(4S,5S)-5-ethenyl-2,2-dimethyl-1,3-dioxolan-4-yl]but-3-en-2-ol is sourced from PubChem (CID 11393316), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).