(3aS,4S,7S,7aR)-7-[tert-butyl(dimethyl)silyl]oxy-4-methoxy-2,2-dimethyl-3a,4,7,7a-tetrahydro-[1,3]dioxolo[4,5-c]pyran-6-one

C15H28O6Si — CID 10980504

IUPAC(3aS,4S,7S,7aR)-7-[tert-butyl(dimethyl)silyl]oxy-4-methoxy-2,2-dimethyl-3a,4,7,7a-tetrahydro-[1,3]dioxolo[4,5-c]pyran-6-one
SMILESCO[C@H]1OC(=O)[C@@H](O[Si](C)(C)C(C)(C)C)[C@@H]2OC(C)(C)O[C@H]12
InChIInChI=1S/C15H28O6Si/c1-14(2,3)22(7,8)21-10-9-11(20-15(4,5)19-9)13(17-6)18-12(10)16/h9-11,13H,1-8H3/t9-,10-,11-,13-/m0/s1
InChIKeySGAYAKVXULVVSD-ZPFDUUQYSA-N
MW332.47 g/mol
LogP2.43
Rot. Bonds3

About (3aS,4S,7S,7aR)-7-[tert-butyl(dimethyl)silyl]oxy-4-methoxy-2,2-dimethyl-3a,4,7,7a-tetrahydro-[1,3]dioxolo[4,5-c]pyran-6-one

(3aS,4S,7S,7aR)-7-[tert-butyl(dimethyl)silyl]oxy-4-methoxy-2,2-dimethyl-3a,4,7,7a-tetrahydro-[1,3]dioxolo[4,5-c]pyran-6-one (PubChem CID 10980504) has the molecular formula C15H28O6Si and a molecular weight of 332.47 g/mol. Its IUPAC name is (3aS,4S,7S,7aR)-7-[tert-butyl(dimethyl)silyl]oxy-4-methoxy-2,2-dimethyl-3a,4,7,7a-tetrahydro-[1,3]dioxolo[4,5-c]pyran-6-one.

Molecular Properties

Compound Name(3aS,4S,7S,7aR)-7-[tert-butyl(dimethyl)silyl]oxy-4-methoxy-2,2-dimethyl-3a,4,7,7a-tetrahydro-[1,3]dioxolo[4,5-c]pyran-6-one
PubChem CID10980504
Molecular FormulaC15H28O6Si
Molecular Weight332.47 g/mol
Exact Mass332.17
IUPAC Name(3aS,4S,7S,7aR)-7-[tert-butyl(dimethyl)silyl]oxy-4-methoxy-2,2-dimethyl-3a,4,7,7a-tetrahydro-[1,3]dioxolo[4,5-c]pyran-6-one
SMILESCO[C@H]1OC(=O)[C@@H](O[Si](C)(C)C(C)(C)C)[C@@H]2OC(C)(C)O[C@H]12
InChIInChI=1S/C15H28O6Si/c1-14(2,3)22(7,8)21-10-9-11(20-15(4,5)19-9)13(17-6)18-12(10)16/h9-11,13H,1-8H3/t9-,10-,11-,13-/m0/s1
InChIKeySGAYAKVXULVVSD-ZPFDUUQYSA-N
XLogP2.43
TPSA63.22 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500332.47
LogP ≤ 52.43
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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 (3aS,4S,7S,7aR)-7-[tert-butyl(dimethyl)silyl]oxy-4-methoxy-2,2-dimethyl-3a,4,7,7a-tetrahydro-[1,3]dioxolo[4,5-c]pyran-6-one?
The IUPAC name of (3aS,4S,7S,7aR)-7-[tert-butyl(dimethyl)silyl]oxy-4-methoxy-2,2-dimethyl-3a,4,7,7a-tetrahydro-[1,3]dioxolo[4,5-c]pyran-6-one (CID 10980504) is (3aS,4S,7S,7aR)-7-[tert-butyl(dimethyl)silyl]oxy-4-methoxy-2,2-dimethyl-3a,4,7,7a-tetrahydro-[1,3]dioxolo[4,5-c]pyran-6-one.
What is the SMILES notation for (3aS,4S,7S,7aR)-7-[tert-butyl(dimethyl)silyl]oxy-4-methoxy-2,2-dimethyl-3a,4,7,7a-tetrahydro-[1,3]dioxolo[4,5-c]pyran-6-one?
The canonical SMILES for (3aS,4S,7S,7aR)-7-[tert-butyl(dimethyl)silyl]oxy-4-methoxy-2,2-dimethyl-3a,4,7,7a-tetrahydro-[1,3]dioxolo[4,5-c]pyran-6-one is CO[C@H]1OC(=O)[C@@H](O[Si](C)(C)C(C)(C)C)[C@@H]2OC(C)(C)O[C@H]12.
What is the InChIKey of (3aS,4S,7S,7aR)-7-[tert-butyl(dimethyl)silyl]oxy-4-methoxy-2,2-dimethyl-3a,4,7,7a-tetrahydro-[1,3]dioxolo[4,5-c]pyran-6-one?
The InChIKey is SGAYAKVXULVVSD-ZPFDUUQYSA-N. The full InChI is InChI=1S/C15H28O6Si/c1-14(2,3)22(7,8)21-10-9-11(20-15(4,5)19-9)13(17-6)18-12(10)16/h9-11,13H,1-8H3/t9-,10-,11-,13-/m0/s1.
What are the key properties of (3aS,4S,7S,7aR)-7-[tert-butyl(dimethyl)silyl]oxy-4-methoxy-2,2-dimethyl-3a,4,7,7a-tetrahydro-[1,3]dioxolo[4,5-c]pyran-6-one?
(3aS,4S,7S,7aR)-7-[tert-butyl(dimethyl)silyl]oxy-4-methoxy-2,2-dimethyl-3a,4,7,7a-tetrahydro-[1,3]dioxolo[4,5-c]pyran-6-one has a molecular weight of 332.47 g/mol, XLogP of 2.43, 3 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for (3aS,4S,7S,7aR)-7-[tert-butyl(dimethyl)silyl]oxy-4-methoxy-2,2-dimethyl-3a,4,7,7a-tetrahydro-[1,3]dioxolo[4,5-c]pyran-6-one is sourced from PubChem (CID 10980504), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).