[(4aR,8R,8aS)-2,2-ditert-butyl-4,4a,8,8a-tetrahydropyrano[3,2-d][1,3,2]dioxasilin-8-yl] 2,2-dimethylpropanoate

C19H34O5Si — CID 135033709

IUPAC[(4aR,8R,8aS)-2,2-ditert-butyl-4,4a,8,8a-tetrahydropyrano[3,2-d][1,3,2]dioxasilin-8-yl] 2,2-dimethylpropanoate
SMILESCC(C)(C)C(=O)O[C@@H]1C=CO[C@@H]2CO[Si](C(C)(C)C)(C(C)(C)C)O[C@@H]12
InChIInChI=1S/C19H34O5Si/c1-17(2,3)16(20)23-13-10-11-21-14-12-22-25(18(4,5)6,19(7,8)9)24-15(13)14/h10-11,13-15H,12H2,1-9H3/t13-,14-,15+/m1/s1
InChIKeyRTECLTGFCLJSNH-KFWWJZLASA-N
MW370.56 g/mol
LogP4.31
Rot. Bonds1

About [(4aR,8R,8aS)-2,2-ditert-butyl-4,4a,8,8a-tetrahydropyrano[3,2-d][1,3,2]dioxasilin-8-yl] 2,2-dimethylpropanoate

[(4aR,8R,8aS)-2,2-ditert-butyl-4,4a,8,8a-tetrahydropyrano[3,2-d][1,3,2]dioxasilin-8-yl] 2,2-dimethylpropanoate (PubChem CID 135033709) has the molecular formula C19H34O5Si and a molecular weight of 370.56 g/mol. Its IUPAC name is [(4aR,8R,8aS)-2,2-ditert-butyl-4,4a,8,8a-tetrahydropyrano[3,2-d][1,3,2]dioxasilin-8-yl] 2,2-dimethylpropanoate.

Molecular Properties

Compound Name[(4aR,8R,8aS)-2,2-ditert-butyl-4,4a,8,8a-tetrahydropyrano[3,2-d][1,3,2]dioxasilin-8-yl] 2,2-dimethylpropanoate
PubChem CID135033709
Molecular FormulaC19H34O5Si
Molecular Weight370.56 g/mol
Exact Mass370.22
IUPAC Name[(4aR,8R,8aS)-2,2-ditert-butyl-4,4a,8,8a-tetrahydropyrano[3,2-d][1,3,2]dioxasilin-8-yl] 2,2-dimethylpropanoate
SMILESCC(C)(C)C(=O)O[C@@H]1C=CO[C@@H]2CO[Si](C(C)(C)C)(C(C)(C)C)O[C@@H]12
InChIInChI=1S/C19H34O5Si/c1-17(2,3)16(20)23-13-10-11-21-14-12-22-25(18(4,5)6,19(7,8)9)24-15(13)14/h10-11,13-15H,12H2,1-9H3/t13-,14-,15+/m1/s1
InChIKeyRTECLTGFCLJSNH-KFWWJZLASA-N
XLogP4.31
TPSA53.99 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds1
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500370.56
LogP ≤ 54.31
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

Analyze [(4aR,8R,8aS)-2,2-ditert-butyl-4,4a,8,8a-tetrahydropyrano[3,2-d][1,3,2]dioxasilin-8-yl] 2,2-dimethylpropanoate with MolForge

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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
(4aR,8R,8aS)-2,2-ditert-butyl-8-ethenoxy-4,4a,8,8a-tetrahydropyrano[3,2-d][1,3,2]dioxasiline
CID 44235847
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] octanoate
CID 11165843
[(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
[(2R,3S,4R)-3,4-bis(2,2-dimethylpropanoyloxy)-3,4-dihydro-2H-pyran-2-yl]methyl 2,2-dimethylpropanoate
CID 11732067
[3,4-bis(2,2-dimethylpropanoyloxy)-3,4-dihydro-2H-pyran-2-yl]methyl 2,2-dimethylpropanoate
CID 13944173
(2,2-Ditert-butyl-4,4a,8,8a-tetrahydropyrano[3,2-d][1,3,2]dioxasilin-8-yl) acetate
CID 72811302
[(4aR,8R,8aS)-2,2-ditert-butyl-4,4a,8,8a-tetrahydropyrano[3,2-d][1,3,2]dioxasilin-8-yl] hexadecanoate
CID 101724313

Frequently Asked Questions

What is the IUPAC name of [(4aR,8R,8aS)-2,2-ditert-butyl-4,4a,8,8a-tetrahydropyrano[3,2-d][1,3,2]dioxasilin-8-yl] 2,2-dimethylpropanoate?
The IUPAC name of [(4aR,8R,8aS)-2,2-ditert-butyl-4,4a,8,8a-tetrahydropyrano[3,2-d][1,3,2]dioxasilin-8-yl] 2,2-dimethylpropanoate (CID 135033709) is [(4aR,8R,8aS)-2,2-ditert-butyl-4,4a,8,8a-tetrahydropyrano[3,2-d][1,3,2]dioxasilin-8-yl] 2,2-dimethylpropanoate.
What is the SMILES notation for [(4aR,8R,8aS)-2,2-ditert-butyl-4,4a,8,8a-tetrahydropyrano[3,2-d][1,3,2]dioxasilin-8-yl] 2,2-dimethylpropanoate?
The canonical SMILES for [(4aR,8R,8aS)-2,2-ditert-butyl-4,4a,8,8a-tetrahydropyrano[3,2-d][1,3,2]dioxasilin-8-yl] 2,2-dimethylpropanoate is CC(C)(C)C(=O)O[C@@H]1C=CO[C@@H]2CO[Si](C(C)(C)C)(C(C)(C)C)O[C@@H]12.
What is the InChIKey of [(4aR,8R,8aS)-2,2-ditert-butyl-4,4a,8,8a-tetrahydropyrano[3,2-d][1,3,2]dioxasilin-8-yl] 2,2-dimethylpropanoate?
The InChIKey is RTECLTGFCLJSNH-KFWWJZLASA-N. The full InChI is InChI=1S/C19H34O5Si/c1-17(2,3)16(20)23-13-10-11-21-14-12-22-25(18(4,5)6,19(7,8)9)24-15(13)14/h10-11,13-15H,12H2,1-9H3/t13-,14-,15+/m1/s1.
What are the key properties of [(4aR,8R,8aS)-2,2-ditert-butyl-4,4a,8,8a-tetrahydropyrano[3,2-d][1,3,2]dioxasilin-8-yl] 2,2-dimethylpropanoate?
[(4aR,8R,8aS)-2,2-ditert-butyl-4,4a,8,8a-tetrahydropyrano[3,2-d][1,3,2]dioxasilin-8-yl] 2,2-dimethylpropanoate has a molecular weight of 370.56 g/mol, XLogP of 4.31, 1 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [(4aR,8R,8aS)-2,2-ditert-butyl-4,4a,8,8a-tetrahydropyrano[3,2-d][1,3,2]dioxasilin-8-yl] 2,2-dimethylpropanoate is sourced from PubChem (CID 135033709), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).