(4aR,7R,8S,8aR)-2,2-dimethyl-7,8-bis(trimethylsilyloxy)-4a,7,8,8a-tetrahydro-4H-pyrano[3,2-d][1,3]dioxin-6-one

C15H30O6Si2 — CID 18664174

IUPAC(4aR,7R,8S,8aR)-2,2-dimethyl-7,8-bis(trimethylsilyloxy)-4a,7,8,8a-tetrahydro-4H-pyrano[3,2-d][1,3]dioxin-6-one
SMILESCC1(C)OC[C@H]2OC(=O)[C@H](O[Si](C)(C)C)[C@@H](O[Si](C)(C)C)[C@@H]2O1
InChIInChI=1S/C15H30O6Si2/c1-15(2)17-9-10-11(19-15)12(20-22(3,4)5)13(14(16)18-10)21-23(6,7)8/h10-13H,9H2,1-8H3/t10-,11-,12+,13-/m1/s1
InChIKeyQWQRQKHPSCQONA-FVCCEPFGSA-N
MW362.57 g/mol
LogP2.50
Rot. Bonds4

About (4aR,7R,8S,8aR)-2,2-dimethyl-7,8-bis(trimethylsilyloxy)-4a,7,8,8a-tetrahydro-4H-pyrano[3,2-d][1,3]dioxin-6-one

(4aR,7R,8S,8aR)-2,2-dimethyl-7,8-bis(trimethylsilyloxy)-4a,7,8,8a-tetrahydro-4H-pyrano[3,2-d][1,3]dioxin-6-one (PubChem CID 18664174) has the molecular formula C15H30O6Si2 and a molecular weight of 362.57 g/mol. Its IUPAC name is (4aR,7R,8S,8aR)-2,2-dimethyl-7,8-bis(trimethylsilyloxy)-4a,7,8,8a-tetrahydro-4H-pyrano[3,2-d][1,3]dioxin-6-one.

Molecular Properties

Compound Name(4aR,7R,8S,8aR)-2,2-dimethyl-7,8-bis(trimethylsilyloxy)-4a,7,8,8a-tetrahydro-4H-pyrano[3,2-d][1,3]dioxin-6-one
PubChem CID18664174
Molecular FormulaC15H30O6Si2
Molecular Weight362.57 g/mol
Exact Mass362.16
IUPAC Name(4aR,7R,8S,8aR)-2,2-dimethyl-7,8-bis(trimethylsilyloxy)-4a,7,8,8a-tetrahydro-4H-pyrano[3,2-d][1,3]dioxin-6-one
SMILESCC1(C)OC[C@H]2OC(=O)[C@H](O[Si](C)(C)C)[C@@H](O[Si](C)(C)C)[C@@H]2O1
InChIInChI=1S/C15H30O6Si2/c1-15(2)17-9-10-11(19-15)12(20-22(3,4)5)13(14(16)18-10)21-23(6,7)8/h10-13H,9H2,1-8H3/t10-,11-,12+,13-/m1/s1
InChIKeyQWQRQKHPSCQONA-FVCCEPFGSA-N
XLogP2.50
TPSA63.22 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500362.57
LogP ≤ 52.50
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

Analyze (4aR,7R,8S,8aR)-2,2-dimethyl-7,8-bis(trimethylsilyloxy)-4a,7,8,8a-tetrahydro-4H-pyrano[3,2-d][1,3]dioxin-6-one with MolForge

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Related Compounds

(3R,4S,5S)-3,4-bis[[tert-butyl(dimethyl)silyl]oxy]-5-[(4R)-2,2-dimethyl-1,3-dioxolan-4-yl]oxolan-2-one
CID 14103109
7-hydroxy-2,2-dimethyl-4,4a,7,7a-tetrahydrofuro[3,2-d][1,3]dioxin-6-one
CID 537482
(4aR,7R,7aR)-7-hydroxy-2,2-dimethyl-4,4a,7,7a-tetrahydrofuro[3,2-d][1,3]dioxin-6-one
CID 53362287
[(3aR,4R,7R,7aS)-4-[(4R)-2,2-dimethyl-1,3-dioxolan-4-yl]-2,2-dimethyl-6-oxo-3a,4,7,7a-tetrahydro-[1,3]dioxolo[4,5-c]pyran-7-yl] methanesulfonate
CID 11122112
(6S,6aS)-6-(2,2-dimethyl-1,3-dioxolan-4-yl)-2,2-dimethyl-6,6a-dihydro-3aH-furo[3,4-d][1,3]dioxol-4-one
CID 90733947
(3aS,6R,6aR)-6-[(4S)-2,2-dimethyl-1,3-dioxolan-4-yl]-2,2-dimethyl-6,6a-dihydro-3aH-furo[3,4-d][1,3]dioxol-4-one
CID 7107167
[(3aS,5S,6R,6aS)-5-[(4S)-2,2-dimethyl-1,3-dioxolan-4-yl]-2,2-dimethyl-3a,5,6,6a-tetrahydrofuro[2,3-d][1,3]dioxol-6-yl]oxy-trimethylsilane
CID 102321182
[(3R,5R)-5-[(4R)-2,2-dimethyl-1,3-dioxolan-4-yl]-2-oxooxolan-3-yl] methanesulfonate
CID 22845692
(3aR,4R,7R,7aR)-4-[(4S)-2,2-dimethyl-1,3-dioxolan-4-yl]-7-hydroxy-2,2-dimethyl-3a,4,7,7a-tetrahydro-[1,3]dioxolo[4,5-c]pyran-6-one
CID 14466796
(5R)-5-[(4S)-2,2-dimethyl-1,3-dioxolan-4-yl]-3-hydroxyoxolan-2-one
CID 71204937
(5R)-5-(2,2-dimethyl-1,3-dioxolan-4-yl)-3,4-dihydroxyoxolan-2-one
CID 59875119
(4S,5S)-5-(2,2-dimethyl-1,3-dioxolan-4-yl)-3,4-dihydroxyoxolan-2-one
CID 45039607

Frequently Asked Questions

What is the IUPAC name of (4aR,7R,8S,8aR)-2,2-dimethyl-7,8-bis(trimethylsilyloxy)-4a,7,8,8a-tetrahydro-4H-pyrano[3,2-d][1,3]dioxin-6-one?
The IUPAC name of (4aR,7R,8S,8aR)-2,2-dimethyl-7,8-bis(trimethylsilyloxy)-4a,7,8,8a-tetrahydro-4H-pyrano[3,2-d][1,3]dioxin-6-one (CID 18664174) is (4aR,7R,8S,8aR)-2,2-dimethyl-7,8-bis(trimethylsilyloxy)-4a,7,8,8a-tetrahydro-4H-pyrano[3,2-d][1,3]dioxin-6-one.
What is the SMILES notation for (4aR,7R,8S,8aR)-2,2-dimethyl-7,8-bis(trimethylsilyloxy)-4a,7,8,8a-tetrahydro-4H-pyrano[3,2-d][1,3]dioxin-6-one?
The canonical SMILES for (4aR,7R,8S,8aR)-2,2-dimethyl-7,8-bis(trimethylsilyloxy)-4a,7,8,8a-tetrahydro-4H-pyrano[3,2-d][1,3]dioxin-6-one is CC1(C)OC[C@H]2OC(=O)[C@H](O[Si](C)(C)C)[C@@H](O[Si](C)(C)C)[C@@H]2O1.
What is the InChIKey of (4aR,7R,8S,8aR)-2,2-dimethyl-7,8-bis(trimethylsilyloxy)-4a,7,8,8a-tetrahydro-4H-pyrano[3,2-d][1,3]dioxin-6-one?
The InChIKey is QWQRQKHPSCQONA-FVCCEPFGSA-N. The full InChI is InChI=1S/C15H30O6Si2/c1-15(2)17-9-10-11(19-15)12(20-22(3,4)5)13(14(16)18-10)21-23(6,7)8/h10-13H,9H2,1-8H3/t10-,11-,12+,13-/m1/s1.
What are the key properties of (4aR,7R,8S,8aR)-2,2-dimethyl-7,8-bis(trimethylsilyloxy)-4a,7,8,8a-tetrahydro-4H-pyrano[3,2-d][1,3]dioxin-6-one?
(4aR,7R,8S,8aR)-2,2-dimethyl-7,8-bis(trimethylsilyloxy)-4a,7,8,8a-tetrahydro-4H-pyrano[3,2-d][1,3]dioxin-6-one has a molecular weight of 362.57 g/mol, XLogP of 2.50, 4 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for (4aR,7R,8S,8aR)-2,2-dimethyl-7,8-bis(trimethylsilyloxy)-4a,7,8,8a-tetrahydro-4H-pyrano[3,2-d][1,3]dioxin-6-one is sourced from PubChem (CID 18664174), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).