6-[(Z,2R)-4-[tert-butyl(dimethyl)silyl]oxy-2-hydroxybut-3-enyl]-2,2-dimethyl-1,3-dioxin-4-one

C16H28O5Si — CID 134931361

IUPAC6-[(Z,2R)-4-[tert-butyl(dimethyl)silyl]oxy-2-hydroxybut-3-enyl]-2,2-dimethyl-1,3-dioxin-4-one
SMILESCC1(C)OC(=O)C=C(C[C@@H](O)/C=C\O[Si](C)(C)C(C)(C)C)O1
InChIInChI=1S/C16H28O5Si/c1-15(2,3)22(6,7)19-9-8-12(17)10-13-11-14(18)21-16(4,5)20-13/h8-9,11-12,17H,10H2,1-7H3/b9-8-/t12-/m0/s1
InChIKeyUEJUDQVFVWPOOX-LAUAKBEESA-N
MW328.48 g/mol
LogP3.47
Rot. Bonds5

About 6-[(Z,2R)-4-[tert-butyl(dimethyl)silyl]oxy-2-hydroxybut-3-enyl]-2,2-dimethyl-1,3-dioxin-4-one

6-[(Z,2R)-4-[tert-butyl(dimethyl)silyl]oxy-2-hydroxybut-3-enyl]-2,2-dimethyl-1,3-dioxin-4-one (PubChem CID 134931361) has the molecular formula C16H28O5Si and a molecular weight of 328.48 g/mol. Its IUPAC name is 6-[(Z,2R)-4-[tert-butyl(dimethyl)silyl]oxy-2-hydroxybut-3-enyl]-2,2-dimethyl-1,3-dioxin-4-one.

Molecular Properties

Compound Name6-[(Z,2R)-4-[tert-butyl(dimethyl)silyl]oxy-2-hydroxybut-3-enyl]-2,2-dimethyl-1,3-dioxin-4-one
PubChem CID134931361
Molecular FormulaC16H28O5Si
Molecular Weight328.48 g/mol
Exact Mass328.17
IUPAC Name6-[(Z,2R)-4-[tert-butyl(dimethyl)silyl]oxy-2-hydroxybut-3-enyl]-2,2-dimethyl-1,3-dioxin-4-one
SMILESCC1(C)OC(=O)C=C(C[C@@H](O)/C=C\O[Si](C)(C)C(C)(C)C)O1
InChIInChI=1S/C16H28O5Si/c1-15(2,3)22(6,7)19-9-8-12(17)10-13-11-14(18)21-16(4,5)20-13/h8-9,11-12,17H,10H2,1-7H3/b9-8-/t12-/m0/s1
InChIKeyUEJUDQVFVWPOOX-LAUAKBEESA-N
XLogP3.47
TPSA64.99 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500328.48
LogP ≤ 53.47
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'acyclic_C=C-O', 'substructure': 'N/A'}, {'alert_name': 'heavy_metal', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 6-[(Z,2R)-4-[tert-butyl(dimethyl)silyl]oxy-2-hydroxybut-3-enyl]-2,2-dimethyl-1,3-dioxin-4-one?
The IUPAC name of 6-[(Z,2R)-4-[tert-butyl(dimethyl)silyl]oxy-2-hydroxybut-3-enyl]-2,2-dimethyl-1,3-dioxin-4-one (CID 134931361) is 6-[(Z,2R)-4-[tert-butyl(dimethyl)silyl]oxy-2-hydroxybut-3-enyl]-2,2-dimethyl-1,3-dioxin-4-one.
What is the SMILES notation for 6-[(Z,2R)-4-[tert-butyl(dimethyl)silyl]oxy-2-hydroxybut-3-enyl]-2,2-dimethyl-1,3-dioxin-4-one?
The canonical SMILES for 6-[(Z,2R)-4-[tert-butyl(dimethyl)silyl]oxy-2-hydroxybut-3-enyl]-2,2-dimethyl-1,3-dioxin-4-one is CC1(C)OC(=O)C=C(C[C@@H](O)/C=C\O[Si](C)(C)C(C)(C)C)O1.
What is the InChIKey of 6-[(Z,2R)-4-[tert-butyl(dimethyl)silyl]oxy-2-hydroxybut-3-enyl]-2,2-dimethyl-1,3-dioxin-4-one?
The InChIKey is UEJUDQVFVWPOOX-LAUAKBEESA-N. The full InChI is InChI=1S/C16H28O5Si/c1-15(2,3)22(6,7)19-9-8-12(17)10-13-11-14(18)21-16(4,5)20-13/h8-9,11-12,17H,10H2,1-7H3/b9-8-/t12-/m0/s1.
What are the key properties of 6-[(Z,2R)-4-[tert-butyl(dimethyl)silyl]oxy-2-hydroxybut-3-enyl]-2,2-dimethyl-1,3-dioxin-4-one?
6-[(Z,2R)-4-[tert-butyl(dimethyl)silyl]oxy-2-hydroxybut-3-enyl]-2,2-dimethyl-1,3-dioxin-4-one has a molecular weight of 328.48 g/mol, XLogP of 3.47, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[(Z,2R)-4-[tert-butyl(dimethyl)silyl]oxy-2-hydroxybut-3-enyl]-2,2-dimethyl-1,3-dioxin-4-one is sourced from PubChem (CID 134931361), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).