(5R,6R)-5-[2-[tert-butyl(dimethyl)silyl]oxyethyl]-6-ethenyl-1,4-dioxan-2-one

C14H26O4Si — CID 134964716

IUPAC(5R,6R)-5-[2-[tert-butyl(dimethyl)silyl]oxyethyl]-6-ethenyl-1,4-dioxan-2-one
SMILESC=C[C@H]1OC(=O)CO[C@@H]1CCO[Si](C)(C)C(C)(C)C
InChIInChI=1S/C14H26O4Si/c1-7-11-12(16-10-13(15)18-11)8-9-17-19(5,6)14(2,3)4/h7,11-12H,1,8-10H2,2-6H3/t11-,12-/m1/s1
InChIKeyFWHSLBMASFGQPE-VXGBXAGGSA-N
MW286.44 g/mol
LogP2.89
Rot. Bonds5

About (5R,6R)-5-[2-[tert-butyl(dimethyl)silyl]oxyethyl]-6-ethenyl-1,4-dioxan-2-one

(5R,6R)-5-[2-[tert-butyl(dimethyl)silyl]oxyethyl]-6-ethenyl-1,4-dioxan-2-one (PubChem CID 134964716) has the molecular formula C14H26O4Si and a molecular weight of 286.44 g/mol. Its IUPAC name is (5R,6R)-5-[2-[tert-butyl(dimethyl)silyl]oxyethyl]-6-ethenyl-1,4-dioxan-2-one.

Molecular Properties

Compound Name(5R,6R)-5-[2-[tert-butyl(dimethyl)silyl]oxyethyl]-6-ethenyl-1,4-dioxan-2-one
PubChem CID134964716
Molecular FormulaC14H26O4Si
Molecular Weight286.44 g/mol
Exact Mass286.16
IUPAC Name(5R,6R)-5-[2-[tert-butyl(dimethyl)silyl]oxyethyl]-6-ethenyl-1,4-dioxan-2-one
SMILESC=C[C@H]1OC(=O)CO[C@@H]1CCO[Si](C)(C)C(C)(C)C
InChIInChI=1S/C14H26O4Si/c1-7-11-12(16-10-13(15)18-11)8-9-17-19(5,6)14(2,3)4/h7,11-12H,1,8-10H2,2-6H3/t11-,12-/m1/s1
InChIKeyFWHSLBMASFGQPE-VXGBXAGGSA-N
XLogP2.89
TPSA44.76 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500286.44
LogP ≤ 52.89
H-Bond Donors ≤ 50
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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Related Compounds

[(2R,3R,4R)-3-acetyloxy-2-[tri(propan-2-yl)silyloxymethyl]-3,4-dihydro-2H-pyran-4-yl] acetate
CID 16213682
3,4-di-acetyl-6-O-(tert-butyldimethylsilyl)-D-Galactal
CID 10450207
D-arabino-Hex-1-enitol, 1,5-anhydro-2-deoxy-6-O-[(1,1-dimethylethyl)dimethylsilyl]-, 3,4-diacetate
CID 11405211
[(2R,3S,4R)-4-acetyloxy-3-[tert-butyl(dimethyl)silyl]oxy-3,4-dihydro-2H-pyran-2-yl]methyl acetate
CID 10450206
[(4aR,8R,8aS)-2,2-ditert-butyl-4,4a,8,8a-tetrahydropyrano[3,2-d][1,3,2]dioxasilin-8-yl] acetate
CID 11348035
3,4-Di-O-acetyl-6-O-(triisopropylsilyl)-D-glucal
CID 11731809
(2,2-Ditert-butyl-4,4a,8,8a-tetrahydropyrano[3,2-d][1,3,2]dioxasilin-8-yl) acetate
CID 72811302
[(2R,3R,4R)-3-[tert-butyl(dimethyl)silyl]oxy-2-[[tert-butyl(dimethyl)silyl]oxymethyl]-3,4-dihydro-2H-pyran-4-yl] acetate
CID 134875305
[(2S,3S,4S)-3-[tert-butyl(dimethyl)silyl]oxy-2-methyl-3,4-dihydro-2H-pyran-4-yl] acetate
CID 101338436
3-O-(tert-butyldimethyl-silyl)-4,6-di-O-acetyl-D-glucal
CID 10427623
[2,3,4-Triacetyloxy-2,6-bis(ethenyl)oxasilinan-5-yl] acetate
CID 69824944
[(2R,3R,4R)-4-[tert-butyl(dimethyl)silyl]oxy-3-(2-deuterioacetyl)oxy-3,4-dihydro-2H-pyran-2-yl]methyl 2-deuterioacetate
CID 140210237

Frequently Asked Questions

What is the IUPAC name of (5R,6R)-5-[2-[tert-butyl(dimethyl)silyl]oxyethyl]-6-ethenyl-1,4-dioxan-2-one?
The IUPAC name of (5R,6R)-5-[2-[tert-butyl(dimethyl)silyl]oxyethyl]-6-ethenyl-1,4-dioxan-2-one (CID 134964716) is (5R,6R)-5-[2-[tert-butyl(dimethyl)silyl]oxyethyl]-6-ethenyl-1,4-dioxan-2-one.
What is the SMILES notation for (5R,6R)-5-[2-[tert-butyl(dimethyl)silyl]oxyethyl]-6-ethenyl-1,4-dioxan-2-one?
The canonical SMILES for (5R,6R)-5-[2-[tert-butyl(dimethyl)silyl]oxyethyl]-6-ethenyl-1,4-dioxan-2-one is C=C[C@H]1OC(=O)CO[C@@H]1CCO[Si](C)(C)C(C)(C)C.
What is the InChIKey of (5R,6R)-5-[2-[tert-butyl(dimethyl)silyl]oxyethyl]-6-ethenyl-1,4-dioxan-2-one?
The InChIKey is FWHSLBMASFGQPE-VXGBXAGGSA-N. The full InChI is InChI=1S/C14H26O4Si/c1-7-11-12(16-10-13(15)18-11)8-9-17-19(5,6)14(2,3)4/h7,11-12H,1,8-10H2,2-6H3/t11-,12-/m1/s1.
What are the key properties of (5R,6R)-5-[2-[tert-butyl(dimethyl)silyl]oxyethyl]-6-ethenyl-1,4-dioxan-2-one?
(5R,6R)-5-[2-[tert-butyl(dimethyl)silyl]oxyethyl]-6-ethenyl-1,4-dioxan-2-one has a molecular weight of 286.44 g/mol, XLogP of 2.89, 5 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (5R,6R)-5-[2-[tert-butyl(dimethyl)silyl]oxyethyl]-6-ethenyl-1,4-dioxan-2-one is sourced from PubChem (CID 134964716), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).