6-[(2S)-3-[tert-butyl(dimethyl)silyl]oxy-2-hydroxypropyl]-2,2-dimethyl-1,3-dioxin-4-one

C15H28O5Si — CID 10425922

IUPAC6-[(2S)-3-[tert-butyl(dimethyl)silyl]oxy-2-hydroxypropyl]-2,2-dimethyl-1,3-dioxin-4-one
SMILESCC1(C)OC(=O)C=C(C[C@H](O)CO[Si](C)(C)C(C)(C)C)O1
InChIInChI=1S/C15H28O5Si/c1-14(2,3)21(6,7)18-10-11(16)8-12-9-13(17)20-15(4,5)19-12/h9,11,16H,8,10H2,1-7H3/t11-/m0/s1
InChIKeyZJBDOBJGAAXOFY-NSHDSACASA-N
MW316.47 g/mol
LogP2.95
Rot. Bonds5

About 6-[(2S)-3-[tert-butyl(dimethyl)silyl]oxy-2-hydroxypropyl]-2,2-dimethyl-1,3-dioxin-4-one

6-[(2S)-3-[tert-butyl(dimethyl)silyl]oxy-2-hydroxypropyl]-2,2-dimethyl-1,3-dioxin-4-one (PubChem CID 10425922) has the molecular formula C15H28O5Si and a molecular weight of 316.47 g/mol. Its IUPAC name is 6-[(2S)-3-[tert-butyl(dimethyl)silyl]oxy-2-hydroxypropyl]-2,2-dimethyl-1,3-dioxin-4-one.

Molecular Properties

Compound Name6-[(2S)-3-[tert-butyl(dimethyl)silyl]oxy-2-hydroxypropyl]-2,2-dimethyl-1,3-dioxin-4-one
PubChem CID10425922
Molecular FormulaC15H28O5Si
Molecular Weight316.47 g/mol
Exact Mass316.17
IUPAC Name6-[(2S)-3-[tert-butyl(dimethyl)silyl]oxy-2-hydroxypropyl]-2,2-dimethyl-1,3-dioxin-4-one
SMILESCC1(C)OC(=O)C=C(C[C@H](O)CO[Si](C)(C)C(C)(C)C)O1
InChIInChI=1S/C15H28O5Si/c1-14(2,3)21(6,7)18-10-11(16)8-12-9-13(17)20-15(4,5)19-12/h9,11,16H,8,10H2,1-7H3/t11-/m0/s1
InChIKeyZJBDOBJGAAXOFY-NSHDSACASA-N
XLogP2.95
TPSA64.99 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500316.47
LogP ≤ 52.95
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'heavy_metal', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 6-[(2S)-3-[tert-butyl(dimethyl)silyl]oxy-2-hydroxypropyl]-2,2-dimethyl-1,3-dioxin-4-one?
The IUPAC name of 6-[(2S)-3-[tert-butyl(dimethyl)silyl]oxy-2-hydroxypropyl]-2,2-dimethyl-1,3-dioxin-4-one (CID 10425922) is 6-[(2S)-3-[tert-butyl(dimethyl)silyl]oxy-2-hydroxypropyl]-2,2-dimethyl-1,3-dioxin-4-one.
What is the SMILES notation for 6-[(2S)-3-[tert-butyl(dimethyl)silyl]oxy-2-hydroxypropyl]-2,2-dimethyl-1,3-dioxin-4-one?
The canonical SMILES for 6-[(2S)-3-[tert-butyl(dimethyl)silyl]oxy-2-hydroxypropyl]-2,2-dimethyl-1,3-dioxin-4-one is CC1(C)OC(=O)C=C(C[C@H](O)CO[Si](C)(C)C(C)(C)C)O1.
What is the InChIKey of 6-[(2S)-3-[tert-butyl(dimethyl)silyl]oxy-2-hydroxypropyl]-2,2-dimethyl-1,3-dioxin-4-one?
The InChIKey is ZJBDOBJGAAXOFY-NSHDSACASA-N. The full InChI is InChI=1S/C15H28O5Si/c1-14(2,3)21(6,7)18-10-11(16)8-12-9-13(17)20-15(4,5)19-12/h9,11,16H,8,10H2,1-7H3/t11-/m0/s1.
What are the key properties of 6-[(2S)-3-[tert-butyl(dimethyl)silyl]oxy-2-hydroxypropyl]-2,2-dimethyl-1,3-dioxin-4-one?
6-[(2S)-3-[tert-butyl(dimethyl)silyl]oxy-2-hydroxypropyl]-2,2-dimethyl-1,3-dioxin-4-one has a molecular weight of 316.47 g/mol, XLogP of 2.95, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[(2S)-3-[tert-butyl(dimethyl)silyl]oxy-2-hydroxypropyl]-2,2-dimethyl-1,3-dioxin-4-one is sourced from PubChem (CID 10425922), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).