(2R,4aR,8S)-8-[tert-butyl(dimethyl)silyl]oxy-2-phenyl-4,4a,8,8a-tetrahydropyrano[3,2-d][1,3]dioxin-7-one

C19H28O5Si — CID 58060720

IUPAC(2R,4aR,8S)-8-[tert-butyl(dimethyl)silyl]oxy-2-phenyl-4,4a,8,8a-tetrahydropyrano[3,2-d][1,3]dioxin-7-one
SMILESCC(C)(C)[Si](C)(C)O[C@@H]1C(=O)CO[C@@H]2CO[C@@H](c3ccccc3)OC12
InChIInChI=1S/C19H28O5Si/c1-19(2,3)25(4,5)24-16-14(20)11-21-15-12-22-18(23-17(15)16)13-9-7-6-8-10-13/h6-10,15-18H,11-12H2,1-5H3/t15-,16-,17?,18-/m1/s1
InChIKeyIELNPMKDJUOLMG-KTBGXXAUSA-N
MW364.51 g/mol
LogP3.46
Rot. Bonds3

About (2R,4aR,8S)-8-[tert-butyl(dimethyl)silyl]oxy-2-phenyl-4,4a,8,8a-tetrahydropyrano[3,2-d][1,3]dioxin-7-one

(2R,4aR,8S)-8-[tert-butyl(dimethyl)silyl]oxy-2-phenyl-4,4a,8,8a-tetrahydropyrano[3,2-d][1,3]dioxin-7-one (PubChem CID 58060720) has the molecular formula C19H28O5Si and a molecular weight of 364.51 g/mol. Its IUPAC name is (2R,4aR,8S)-8-[tert-butyl(dimethyl)silyl]oxy-2-phenyl-4,4a,8,8a-tetrahydropyrano[3,2-d][1,3]dioxin-7-one.

Molecular Properties

Compound Name(2R,4aR,8S)-8-[tert-butyl(dimethyl)silyl]oxy-2-phenyl-4,4a,8,8a-tetrahydropyrano[3,2-d][1,3]dioxin-7-one
PubChem CID58060720
Molecular FormulaC19H28O5Si
Molecular Weight364.51 g/mol
Exact Mass364.17
IUPAC Name(2R,4aR,8S)-8-[tert-butyl(dimethyl)silyl]oxy-2-phenyl-4,4a,8,8a-tetrahydropyrano[3,2-d][1,3]dioxin-7-one
SMILESCC(C)(C)[Si](C)(C)O[C@@H]1C(=O)CO[C@@H]2CO[C@@H](c3ccccc3)OC12
InChIInChI=1S/C19H28O5Si/c1-19(2,3)25(4,5)24-16-14(20)11-21-15-12-22-18(23-17(15)16)13-9-7-6-8-10-13/h6-10,15-18H,11-12H2,1-5H3/t15-,16-,17?,18-/m1/s1
InChIKeyIELNPMKDJUOLMG-KTBGXXAUSA-N
XLogP3.46
TPSA53.99 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500364.51
LogP ≤ 53.46
H-Bond Donors ≤ 50
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 (2R,4aR,8S)-8-[tert-butyl(dimethyl)silyl]oxy-2-phenyl-4,4a,8,8a-tetrahydropyrano[3,2-d][1,3]dioxin-7-one?
The IUPAC name of (2R,4aR,8S)-8-[tert-butyl(dimethyl)silyl]oxy-2-phenyl-4,4a,8,8a-tetrahydropyrano[3,2-d][1,3]dioxin-7-one (CID 58060720) is (2R,4aR,8S)-8-[tert-butyl(dimethyl)silyl]oxy-2-phenyl-4,4a,8,8a-tetrahydropyrano[3,2-d][1,3]dioxin-7-one.
What is the SMILES notation for (2R,4aR,8S)-8-[tert-butyl(dimethyl)silyl]oxy-2-phenyl-4,4a,8,8a-tetrahydropyrano[3,2-d][1,3]dioxin-7-one?
The canonical SMILES for (2R,4aR,8S)-8-[tert-butyl(dimethyl)silyl]oxy-2-phenyl-4,4a,8,8a-tetrahydropyrano[3,2-d][1,3]dioxin-7-one is CC(C)(C)[Si](C)(C)O[C@@H]1C(=O)CO[C@@H]2CO[C@@H](c3ccccc3)OC12.
What is the InChIKey of (2R,4aR,8S)-8-[tert-butyl(dimethyl)silyl]oxy-2-phenyl-4,4a,8,8a-tetrahydropyrano[3,2-d][1,3]dioxin-7-one?
The InChIKey is IELNPMKDJUOLMG-KTBGXXAUSA-N. The full InChI is InChI=1S/C19H28O5Si/c1-19(2,3)25(4,5)24-16-14(20)11-21-15-12-22-18(23-17(15)16)13-9-7-6-8-10-13/h6-10,15-18H,11-12H2,1-5H3/t15-,16-,17?,18-/m1/s1.
What are the key properties of (2R,4aR,8S)-8-[tert-butyl(dimethyl)silyl]oxy-2-phenyl-4,4a,8,8a-tetrahydropyrano[3,2-d][1,3]dioxin-7-one?
(2R,4aR,8S)-8-[tert-butyl(dimethyl)silyl]oxy-2-phenyl-4,4a,8,8a-tetrahydropyrano[3,2-d][1,3]dioxin-7-one has a molecular weight of 364.51 g/mol, XLogP of 3.46, 3 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (2R,4aR,8S)-8-[tert-butyl(dimethyl)silyl]oxy-2-phenyl-4,4a,8,8a-tetrahydropyrano[3,2-d][1,3]dioxin-7-one is sourced from PubChem (CID 58060720), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).