(3aR,4R,7aR)-4-[[tert-butyl(dimethyl)silyl]oxymethyl]-4,7a-dihydro-3aH-[1,3]dioxolo[4,5-c]pyran-2-one

C13H22O5Si — CID 11129896

IUPAC(3aR,4R,7aR)-4-[[tert-butyl(dimethyl)silyl]oxymethyl]-4,7a-dihydro-3aH-[1,3]dioxolo[4,5-c]pyran-2-one
SMILESCC(C)(C)[Si](C)(C)OC[C@H]1OC=C[C@H]2OC(=O)O[C@H]21
InChIInChI=1S/C13H22O5Si/c1-13(2,3)19(4,5)16-8-10-11-9(6-7-15-10)17-12(14)18-11/h6-7,9-11H,8H2,1-5H3/t9-,10-,11-/m1/s1
InChIKeyGCCORIHYXASOTN-GMTAPVOTSA-N
MW286.40 g/mol
LogP2.82
Rot. Bonds3

About (3aR,4R,7aR)-4-[[tert-butyl(dimethyl)silyl]oxymethyl]-4,7a-dihydro-3aH-[1,3]dioxolo[4,5-c]pyran-2-one

(3aR,4R,7aR)-4-[[tert-butyl(dimethyl)silyl]oxymethyl]-4,7a-dihydro-3aH-[1,3]dioxolo[4,5-c]pyran-2-one (PubChem CID 11129896) has the molecular formula C13H22O5Si and a molecular weight of 286.40 g/mol. Its IUPAC name is (3aR,4R,7aR)-4-[[tert-butyl(dimethyl)silyl]oxymethyl]-4,7a-dihydro-3aH-[1,3]dioxolo[4,5-c]pyran-2-one.

Molecular Properties

Compound Name(3aR,4R,7aR)-4-[[tert-butyl(dimethyl)silyl]oxymethyl]-4,7a-dihydro-3aH-[1,3]dioxolo[4,5-c]pyran-2-one
PubChem CID11129896
Molecular FormulaC13H22O5Si
Molecular Weight286.40 g/mol
Exact Mass286.12
IUPAC Name(3aR,4R,7aR)-4-[[tert-butyl(dimethyl)silyl]oxymethyl]-4,7a-dihydro-3aH-[1,3]dioxolo[4,5-c]pyran-2-one
SMILESCC(C)(C)[Si](C)(C)OC[C@H]1OC=C[C@H]2OC(=O)O[C@H]21
InChIInChI=1S/C13H22O5Si/c1-13(2,3)19(4,5)16-8-10-11-9(6-7-15-10)17-12(14)18-11/h6-7,9-11H,8H2,1-5H3/t9-,10-,11-/m1/s1
InChIKeyGCCORIHYXASOTN-GMTAPVOTSA-N
XLogP2.82
TPSA53.99 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500286.40
LogP ≤ 52.82
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 (3aR,4R,7aR)-4-[[tert-butyl(dimethyl)silyl]oxymethyl]-4,7a-dihydro-3aH-[1,3]dioxolo[4,5-c]pyran-2-one?
The IUPAC name of (3aR,4R,7aR)-4-[[tert-butyl(dimethyl)silyl]oxymethyl]-4,7a-dihydro-3aH-[1,3]dioxolo[4,5-c]pyran-2-one (CID 11129896) is (3aR,4R,7aR)-4-[[tert-butyl(dimethyl)silyl]oxymethyl]-4,7a-dihydro-3aH-[1,3]dioxolo[4,5-c]pyran-2-one.
What is the SMILES notation for (3aR,4R,7aR)-4-[[tert-butyl(dimethyl)silyl]oxymethyl]-4,7a-dihydro-3aH-[1,3]dioxolo[4,5-c]pyran-2-one?
The canonical SMILES for (3aR,4R,7aR)-4-[[tert-butyl(dimethyl)silyl]oxymethyl]-4,7a-dihydro-3aH-[1,3]dioxolo[4,5-c]pyran-2-one is CC(C)(C)[Si](C)(C)OC[C@H]1OC=C[C@H]2OC(=O)O[C@H]21.
What is the InChIKey of (3aR,4R,7aR)-4-[[tert-butyl(dimethyl)silyl]oxymethyl]-4,7a-dihydro-3aH-[1,3]dioxolo[4,5-c]pyran-2-one?
The InChIKey is GCCORIHYXASOTN-GMTAPVOTSA-N. The full InChI is InChI=1S/C13H22O5Si/c1-13(2,3)19(4,5)16-8-10-11-9(6-7-15-10)17-12(14)18-11/h6-7,9-11H,8H2,1-5H3/t9-,10-,11-/m1/s1.
What are the key properties of (3aR,4R,7aR)-4-[[tert-butyl(dimethyl)silyl]oxymethyl]-4,7a-dihydro-3aH-[1,3]dioxolo[4,5-c]pyran-2-one?
(3aR,4R,7aR)-4-[[tert-butyl(dimethyl)silyl]oxymethyl]-4,7a-dihydro-3aH-[1,3]dioxolo[4,5-c]pyran-2-one has a molecular weight of 286.40 g/mol, XLogP of 2.82, 3 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (3aR,4R,7aR)-4-[[tert-butyl(dimethyl)silyl]oxymethyl]-4,7a-dihydro-3aH-[1,3]dioxolo[4,5-c]pyran-2-one is sourced from PubChem (CID 11129896), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).