(4aR,6S,8aR)-2-tert-butyl-6-methyl-2-(2-methylpropan-2-yl)-4a,6,7,8a-tetrahydro-4H-pyrano[3,2-d][1,3,2]dioxasilin-8-one

C15H27O4Si+ — CID 134857277

IUPAC(4aR,6S,8aR)-2-tert-butyl-6-methyl-2-(2-methylpropan-2-yl)-4a,6,7,8a-tetrahydro-4H-pyrano[3,2-d][1,3,2]dioxasilin-8-one
SMILES[CH2+]C(C)(C)[Si]1(C(C)(C)C)OC[C@H]2O[C@@H](C)CC(=O)[C@@H]2O1
InChIInChI=1S/C15H27O4Si/c1-10-8-11(16)13-12(18-10)9-17-20(19-13,14(2,3)4)15(5,6)7/h10,12-13H,2,8-9H2,1,3-7H3/q+1/t10-,12+,13-,20?/m0/s1
InChIKeyRIZGQKMEIAOEMI-RNVOSHQWSA-N
MW299.46 g/mol
LogP3.00
Rot. Bonds1

About (4aR,6S,8aR)-2-tert-butyl-6-methyl-2-(2-methylpropan-2-yl)-4a,6,7,8a-tetrahydro-4H-pyrano[3,2-d][1,3,2]dioxasilin-8-one

(4aR,6S,8aR)-2-tert-butyl-6-methyl-2-(2-methylpropan-2-yl)-4a,6,7,8a-tetrahydro-4H-pyrano[3,2-d][1,3,2]dioxasilin-8-one (PubChem CID 134857277) has the molecular formula C15H27O4Si+ and a molecular weight of 299.46 g/mol. Its IUPAC name is (4aR,6S,8aR)-2-tert-butyl-6-methyl-2-(2-methylpropan-2-yl)-4a,6,7,8a-tetrahydro-4H-pyrano[3,2-d][1,3,2]dioxasilin-8-one.

Molecular Properties

Compound Name(4aR,6S,8aR)-2-tert-butyl-6-methyl-2-(2-methylpropan-2-yl)-4a,6,7,8a-tetrahydro-4H-pyrano[3,2-d][1,3,2]dioxasilin-8-one
PubChem CID134857277
Molecular FormulaC15H27O4Si+
Molecular Weight299.46 g/mol
Exact Mass299.17
IUPAC Name(4aR,6S,8aR)-2-tert-butyl-6-methyl-2-(2-methylpropan-2-yl)-4a,6,7,8a-tetrahydro-4H-pyrano[3,2-d][1,3,2]dioxasilin-8-one
SMILES[CH2+]C(C)(C)[Si]1(C(C)(C)C)OC[C@H]2O[C@@H](C)CC(=O)[C@@H]2O1
InChIInChI=1S/C15H27O4Si/c1-10-8-11(16)13-12(18-10)9-17-20(19-13,14(2,3)4)15(5,6)7/h10,12-13H,2,8-9H2,1,3-7H3/q+1/t10-,12+,13-,20?/m0/s1
InChIKeyRIZGQKMEIAOEMI-RNVOSHQWSA-N
XLogP3.00
TPSA44.76 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500299.46
LogP ≤ 53.00
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

Analyze (4aR,6S,8aR)-2-tert-butyl-6-methyl-2-(2-methylpropan-2-yl)-4a,6,7,8a-tetrahydro-4H-pyrano[3,2-d][1,3,2]dioxasilin-8-one with MolForge

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Related Compounds

(2R,3R,6R)-2-[[tert-butyl(dimethyl)silyl]oxymethyl]-3-methoxy-6-methyloxan-4-one
CID 23253063
(4aR,6R,8aR)-2,2-ditert-butyl-6-methyl-4a,6,7,8a-tetrahydro-4H-pyrano[3,2-d][1,3,2]dioxasilin-8-one
CID 46910879
1-[(2S,3S)-3-[(2S,3R)-2-[2-[tert-butyl(dimethyl)silyl]oxyethyl]oxan-3-yl]oxyoxan-2-yl]ethanone
CID 11111837
(4aR,6S,8aR)-2,2-ditert-butyl-6-methyl-4a,6,7,8a-tetrahydro-4H-pyrano[3,2-d][1,3,2]dioxasilin-8-one
CID 46909604

Frequently Asked Questions

What is the IUPAC name of (4aR,6S,8aR)-2-tert-butyl-6-methyl-2-(2-methylpropan-2-yl)-4a,6,7,8a-tetrahydro-4H-pyrano[3,2-d][1,3,2]dioxasilin-8-one?
The IUPAC name of (4aR,6S,8aR)-2-tert-butyl-6-methyl-2-(2-methylpropan-2-yl)-4a,6,7,8a-tetrahydro-4H-pyrano[3,2-d][1,3,2]dioxasilin-8-one (CID 134857277) is (4aR,6S,8aR)-2-tert-butyl-6-methyl-2-(2-methylpropan-2-yl)-4a,6,7,8a-tetrahydro-4H-pyrano[3,2-d][1,3,2]dioxasilin-8-one.
What is the SMILES notation for (4aR,6S,8aR)-2-tert-butyl-6-methyl-2-(2-methylpropan-2-yl)-4a,6,7,8a-tetrahydro-4H-pyrano[3,2-d][1,3,2]dioxasilin-8-one?
The canonical SMILES for (4aR,6S,8aR)-2-tert-butyl-6-methyl-2-(2-methylpropan-2-yl)-4a,6,7,8a-tetrahydro-4H-pyrano[3,2-d][1,3,2]dioxasilin-8-one is [CH2+]C(C)(C)[Si]1(C(C)(C)C)OC[C@H]2O[C@@H](C)CC(=O)[C@@H]2O1.
What is the InChIKey of (4aR,6S,8aR)-2-tert-butyl-6-methyl-2-(2-methylpropan-2-yl)-4a,6,7,8a-tetrahydro-4H-pyrano[3,2-d][1,3,2]dioxasilin-8-one?
The InChIKey is RIZGQKMEIAOEMI-RNVOSHQWSA-N. The full InChI is InChI=1S/C15H27O4Si/c1-10-8-11(16)13-12(18-10)9-17-20(19-13,14(2,3)4)15(5,6)7/h10,12-13H,2,8-9H2,1,3-7H3/q+1/t10-,12+,13-,20?/m0/s1.
What are the key properties of (4aR,6S,8aR)-2-tert-butyl-6-methyl-2-(2-methylpropan-2-yl)-4a,6,7,8a-tetrahydro-4H-pyrano[3,2-d][1,3,2]dioxasilin-8-one?
(4aR,6S,8aR)-2-tert-butyl-6-methyl-2-(2-methylpropan-2-yl)-4a,6,7,8a-tetrahydro-4H-pyrano[3,2-d][1,3,2]dioxasilin-8-one has a molecular weight of 299.46 g/mol, XLogP of 3.00, 1 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (4aR,6S,8aR)-2-tert-butyl-6-methyl-2-(2-methylpropan-2-yl)-4a,6,7,8a-tetrahydro-4H-pyrano[3,2-d][1,3,2]dioxasilin-8-one is sourced from PubChem (CID 134857277), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).