[(4S,5S)-5-[(2R)-1-[tert-butyl(dimethyl)silyl]oxybut-3-en-2-yl]-2,2-dimethyl-1,3-dioxolan-4-yl]methanol

C16H32O4Si — CID 10903188

IUPAC[(4S,5S)-5-[(2R)-1-[tert-butyl(dimethyl)silyl]oxybut-3-en-2-yl]-2,2-dimethyl-1,3-dioxolan-4-yl]methanol
SMILESC=C[C@H](CO[Si](C)(C)C(C)(C)C)[C@@H]1OC(C)(C)O[C@H]1CO
InChIInChI=1S/C16H32O4Si/c1-9-12(11-18-21(7,8)15(2,3)4)14-13(10-17)19-16(5,6)20-14/h9,12-14,17H,1,10-11H2,2-8H3/t12-,13+,14+/m1/s1
InChIKeyCEFNTBRUODBBDY-RDBSUJKOSA-N
MW316.51 g/mol
LogP3.32
Rot. Bonds6

About [(4S,5S)-5-[(2R)-1-[tert-butyl(dimethyl)silyl]oxybut-3-en-2-yl]-2,2-dimethyl-1,3-dioxolan-4-yl]methanol

[(4S,5S)-5-[(2R)-1-[tert-butyl(dimethyl)silyl]oxybut-3-en-2-yl]-2,2-dimethyl-1,3-dioxolan-4-yl]methanol (PubChem CID 10903188) has the molecular formula C16H32O4Si and a molecular weight of 316.51 g/mol. Its IUPAC name is [(4S,5S)-5-[(2R)-1-[tert-butyl(dimethyl)silyl]oxybut-3-en-2-yl]-2,2-dimethyl-1,3-dioxolan-4-yl]methanol.

Molecular Properties

Compound Name[(4S,5S)-5-[(2R)-1-[tert-butyl(dimethyl)silyl]oxybut-3-en-2-yl]-2,2-dimethyl-1,3-dioxolan-4-yl]methanol
PubChem CID10903188
Molecular FormulaC16H32O4Si
Molecular Weight316.51 g/mol
Exact Mass316.21
IUPAC Name[(4S,5S)-5-[(2R)-1-[tert-butyl(dimethyl)silyl]oxybut-3-en-2-yl]-2,2-dimethyl-1,3-dioxolan-4-yl]methanol
SMILESC=C[C@H](CO[Si](C)(C)C(C)(C)C)[C@@H]1OC(C)(C)O[C@H]1CO
InChIInChI=1S/C16H32O4Si/c1-9-12(11-18-21(7,8)15(2,3)4)14-13(10-17)19-16(5,6)20-14/h9,12-14,17H,1,10-11H2,2-8H3/t12-,13+,14+/m1/s1
InChIKeyCEFNTBRUODBBDY-RDBSUJKOSA-N
XLogP3.32
TPSA47.92 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500316.51
LogP ≤ 53.32
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 [(4S,5S)-5-[(2R)-1-[tert-butyl(dimethyl)silyl]oxybut-3-en-2-yl]-2,2-dimethyl-1,3-dioxolan-4-yl]methanol?
The IUPAC name of [(4S,5S)-5-[(2R)-1-[tert-butyl(dimethyl)silyl]oxybut-3-en-2-yl]-2,2-dimethyl-1,3-dioxolan-4-yl]methanol (CID 10903188) is [(4S,5S)-5-[(2R)-1-[tert-butyl(dimethyl)silyl]oxybut-3-en-2-yl]-2,2-dimethyl-1,3-dioxolan-4-yl]methanol.
What is the SMILES notation for [(4S,5S)-5-[(2R)-1-[tert-butyl(dimethyl)silyl]oxybut-3-en-2-yl]-2,2-dimethyl-1,3-dioxolan-4-yl]methanol?
The canonical SMILES for [(4S,5S)-5-[(2R)-1-[tert-butyl(dimethyl)silyl]oxybut-3-en-2-yl]-2,2-dimethyl-1,3-dioxolan-4-yl]methanol is C=C[C@H](CO[Si](C)(C)C(C)(C)C)[C@@H]1OC(C)(C)O[C@H]1CO.
What is the InChIKey of [(4S,5S)-5-[(2R)-1-[tert-butyl(dimethyl)silyl]oxybut-3-en-2-yl]-2,2-dimethyl-1,3-dioxolan-4-yl]methanol?
The InChIKey is CEFNTBRUODBBDY-RDBSUJKOSA-N. The full InChI is InChI=1S/C16H32O4Si/c1-9-12(11-18-21(7,8)15(2,3)4)14-13(10-17)19-16(5,6)20-14/h9,12-14,17H,1,10-11H2,2-8H3/t12-,13+,14+/m1/s1.
What are the key properties of [(4S,5S)-5-[(2R)-1-[tert-butyl(dimethyl)silyl]oxybut-3-en-2-yl]-2,2-dimethyl-1,3-dioxolan-4-yl]methanol?
[(4S,5S)-5-[(2R)-1-[tert-butyl(dimethyl)silyl]oxybut-3-en-2-yl]-2,2-dimethyl-1,3-dioxolan-4-yl]methanol has a molecular weight of 316.51 g/mol, XLogP of 3.32, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [(4S,5S)-5-[(2R)-1-[tert-butyl(dimethyl)silyl]oxybut-3-en-2-yl]-2,2-dimethyl-1,3-dioxolan-4-yl]methanol is sourced from PubChem (CID 10903188), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).