(4aR,8aR)-2,2-ditert-butyl-4a,8a-dihydro-4H-pyrano[3,2-d][1,3,2]dioxasilin-8-one

C14H24O4Si — CID 11471643

IUPAC(4aR,8aR)-2,2-ditert-butyl-4a,8a-dihydro-4H-pyrano[3,2-d][1,3,2]dioxasilin-8-one
SMILESCC(C)(C)[Si]1(C(C)(C)C)OC[C@H]2OC=CC(=O)[C@@H]2O1
InChIInChI=1S/C14H24O4Si/c1-13(2,3)19(14(4,5)6)17-9-11-12(18-19)10(15)7-8-16-11/h7-8,11-12H,9H2,1-6H3/t11-,12+/m1/s1
InChIKeyVGVULAFSSQQVRQ-NEPJUHHUSA-N
MW284.43 g/mol
LogP2.93
Rot. Bonds

About (4aR,8aR)-2,2-ditert-butyl-4a,8a-dihydro-4H-pyrano[3,2-d][1,3,2]dioxasilin-8-one

(4aR,8aR)-2,2-ditert-butyl-4a,8a-dihydro-4H-pyrano[3,2-d][1,3,2]dioxasilin-8-one (PubChem CID 11471643) has the molecular formula C14H24O4Si and a molecular weight of 284.43 g/mol. Its IUPAC name is (4aR,8aR)-2,2-ditert-butyl-4a,8a-dihydro-4H-pyrano[3,2-d][1,3,2]dioxasilin-8-one.

Molecular Properties

Compound Name(4aR,8aR)-2,2-ditert-butyl-4a,8a-dihydro-4H-pyrano[3,2-d][1,3,2]dioxasilin-8-one
PubChem CID11471643
Molecular FormulaC14H24O4Si
Molecular Weight284.43 g/mol
Exact Mass284.14
IUPAC Name(4aR,8aR)-2,2-ditert-butyl-4a,8a-dihydro-4H-pyrano[3,2-d][1,3,2]dioxasilin-8-one
SMILESCC(C)(C)[Si]1(C(C)(C)C)OC[C@H]2OC=CC(=O)[C@@H]2O1
InChIInChI=1S/C14H24O4Si/c1-13(2,3)19(14(4,5)6)17-9-11-12(18-19)10(15)7-8-16-11/h7-8,11-12H,9H2,1-6H3/t11-,12+/m1/s1
InChIKeyVGVULAFSSQQVRQ-NEPJUHHUSA-N
XLogP2.93
TPSA44.76 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500284.43
LogP ≤ 52.93
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

Analyze (4aR,8aR)-2,2-ditert-butyl-4a,8a-dihydro-4H-pyrano[3,2-d][1,3,2]dioxasilin-8-one with MolForge

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Launch Full Analysis

Related Compounds

(2R,3R)-2-(((tert-Butyldimethylsilyl)oxy)methyl)-3-hydroxy-2,3-dihydro-4H-pyran-4-one, AldrichCPR
CID 6612648
(2R,3R)-3-[tert-butyl(dimethyl)silyl]oxy-2-[[tert-butyl(dimethyl)silyl]oxymethyl]-2,3-dihydropyran-4-one
CID 24766658
[(2R,3S)-2-[[tert-butyl(dimethyl)silyl]oxymethyl]-4-oxo-2,3-dihydropyran-3-yl] acetate
CID 9972032
(2R,3R)-2-[[tert-butyl(dimethyl)silyl]oxymethyl]-3-methoxy-2,3-dihydropyran-4-one
CID 13070166
(2R,3S)-3-[tert-butyl(dimethyl)silyl]oxy-2-[[tert-butyl(dimethyl)silyl]oxymethyl]-2,3-dihydropyran-4-one
CID 134922321
(2S,3S)-2-[[tert-butyl(dimethyl)silyl]oxymethyl]-3-hydroxy-2,3-dihydropyran-4-one
CID 335649
(2S,3S)-2-[[tert-butyl(dimethyl)silyl]oxymethyl]-3-methoxy-2,3-dihydropyran-4-one
CID 335650
(2S)-2-[[tert-butyl(dimethyl)silyl]oxymethyl]-2,3-dihydropyran-4-one
CID 173575576
(2R)-3-[tert-butyl(dimethyl)silyl]oxy-2-[[tert-butyl(dimethyl)silyl]oxymethyl]-2,3-dihydropyran-4-one
CID 173794843
2-[[Tert-butyl(dimethyl)silyl]oxymethyl]-3-methoxy-2,3-dihydropyran-4-one
CID 5036106
2-[[Tert-butyl(dimethyl)silyl]oxymethyl]-3-hydroxy-2,3-dihydropyran-4-one
CID 5207840
(2R)-2-[[tert-butyl(dimethyl)silyl]oxymethyl]-2,3-dihydropyran-4-one
CID 9859630

Frequently Asked Questions

What is the IUPAC name of (4aR,8aR)-2,2-ditert-butyl-4a,8a-dihydro-4H-pyrano[3,2-d][1,3,2]dioxasilin-8-one?
The IUPAC name of (4aR,8aR)-2,2-ditert-butyl-4a,8a-dihydro-4H-pyrano[3,2-d][1,3,2]dioxasilin-8-one (CID 11471643) is (4aR,8aR)-2,2-ditert-butyl-4a,8a-dihydro-4H-pyrano[3,2-d][1,3,2]dioxasilin-8-one.
What is the SMILES notation for (4aR,8aR)-2,2-ditert-butyl-4a,8a-dihydro-4H-pyrano[3,2-d][1,3,2]dioxasilin-8-one?
The canonical SMILES for (4aR,8aR)-2,2-ditert-butyl-4a,8a-dihydro-4H-pyrano[3,2-d][1,3,2]dioxasilin-8-one is CC(C)(C)[Si]1(C(C)(C)C)OC[C@H]2OC=CC(=O)[C@@H]2O1.
What is the InChIKey of (4aR,8aR)-2,2-ditert-butyl-4a,8a-dihydro-4H-pyrano[3,2-d][1,3,2]dioxasilin-8-one?
The InChIKey is VGVULAFSSQQVRQ-NEPJUHHUSA-N. The full InChI is InChI=1S/C14H24O4Si/c1-13(2,3)19(14(4,5)6)17-9-11-12(18-19)10(15)7-8-16-11/h7-8,11-12H,9H2,1-6H3/t11-,12+/m1/s1.
What are the key properties of (4aR,8aR)-2,2-ditert-butyl-4a,8a-dihydro-4H-pyrano[3,2-d][1,3,2]dioxasilin-8-one?
(4aR,8aR)-2,2-ditert-butyl-4a,8a-dihydro-4H-pyrano[3,2-d][1,3,2]dioxasilin-8-one has a molecular weight of 284.43 g/mol, XLogP of 2.93, 0 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (4aR,8aR)-2,2-ditert-butyl-4a,8a-dihydro-4H-pyrano[3,2-d][1,3,2]dioxasilin-8-one is sourced from PubChem (CID 11471643), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).