(3aS,7R,7aS)-7-[tert-butyl(dimethyl)silyl]oxy-2,2-dimethyl-4,6,7,7a-tetrahydro-3aH-[1,3]dioxolo[4,5-c]pyran-6-ol

C14H28O5Si — CID 14374539

IUPAC(3aS,7R,7aS)-7-[tert-butyl(dimethyl)silyl]oxy-2,2-dimethyl-4,6,7,7a-tetrahydro-3aH-[1,3]dioxolo[4,5-c]pyran-6-ol
SMILESCC1(C)O[C@H]2[C@H](COC(O)[C@@H]2O[Si](C)(C)C(C)(C)C)O1
InChIInChI=1S/C14H28O5Si/c1-13(2,3)20(6,7)19-11-10-9(8-16-12(11)15)17-14(4,5)18-10/h9-12,15H,8H2,1-7H3/t9-,10-,11+,12?/m0/s1
InChIKeyGGUHPZSNQRVIAY-WSMDXJOWSA-N
MW304.46 g/mol
LogP2.25
Rot. Bonds2

About (3aS,7R,7aS)-7-[tert-butyl(dimethyl)silyl]oxy-2,2-dimethyl-4,6,7,7a-tetrahydro-3aH-[1,3]dioxolo[4,5-c]pyran-6-ol

(3aS,7R,7aS)-7-[tert-butyl(dimethyl)silyl]oxy-2,2-dimethyl-4,6,7,7a-tetrahydro-3aH-[1,3]dioxolo[4,5-c]pyran-6-ol (PubChem CID 14374539) has the molecular formula C14H28O5Si and a molecular weight of 304.46 g/mol. Its IUPAC name is (3aS,7R,7aS)-7-[tert-butyl(dimethyl)silyl]oxy-2,2-dimethyl-4,6,7,7a-tetrahydro-3aH-[1,3]dioxolo[4,5-c]pyran-6-ol.

Molecular Properties

Compound Name(3aS,7R,7aS)-7-[tert-butyl(dimethyl)silyl]oxy-2,2-dimethyl-4,6,7,7a-tetrahydro-3aH-[1,3]dioxolo[4,5-c]pyran-6-ol
PubChem CID14374539
Molecular FormulaC14H28O5Si
Molecular Weight304.46 g/mol
Exact Mass304.17
IUPAC Name(3aS,7R,7aS)-7-[tert-butyl(dimethyl)silyl]oxy-2,2-dimethyl-4,6,7,7a-tetrahydro-3aH-[1,3]dioxolo[4,5-c]pyran-6-ol
SMILESCC1(C)O[C@H]2[C@H](COC(O)[C@@H]2O[Si](C)(C)C(C)(C)C)O1
InChIInChI=1S/C14H28O5Si/c1-13(2,3)20(6,7)19-11-10-9(8-16-12(11)15)17-14(4,5)18-10/h9-12,15H,8H2,1-7H3/t9-,10-,11+,12?/m0/s1
InChIKeyGGUHPZSNQRVIAY-WSMDXJOWSA-N
XLogP2.25
TPSA57.15 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500304.46
LogP ≤ 52.25
H-Bond Donors ≤ 51
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 (3aS,7R,7aS)-7-[tert-butyl(dimethyl)silyl]oxy-2,2-dimethyl-4,6,7,7a-tetrahydro-3aH-[1,3]dioxolo[4,5-c]pyran-6-ol?
The IUPAC name of (3aS,7R,7aS)-7-[tert-butyl(dimethyl)silyl]oxy-2,2-dimethyl-4,6,7,7a-tetrahydro-3aH-[1,3]dioxolo[4,5-c]pyran-6-ol (CID 14374539) is (3aS,7R,7aS)-7-[tert-butyl(dimethyl)silyl]oxy-2,2-dimethyl-4,6,7,7a-tetrahydro-3aH-[1,3]dioxolo[4,5-c]pyran-6-ol.
What is the SMILES notation for (3aS,7R,7aS)-7-[tert-butyl(dimethyl)silyl]oxy-2,2-dimethyl-4,6,7,7a-tetrahydro-3aH-[1,3]dioxolo[4,5-c]pyran-6-ol?
The canonical SMILES for (3aS,7R,7aS)-7-[tert-butyl(dimethyl)silyl]oxy-2,2-dimethyl-4,6,7,7a-tetrahydro-3aH-[1,3]dioxolo[4,5-c]pyran-6-ol is CC1(C)O[C@H]2[C@H](COC(O)[C@@H]2O[Si](C)(C)C(C)(C)C)O1.
What is the InChIKey of (3aS,7R,7aS)-7-[tert-butyl(dimethyl)silyl]oxy-2,2-dimethyl-4,6,7,7a-tetrahydro-3aH-[1,3]dioxolo[4,5-c]pyran-6-ol?
The InChIKey is GGUHPZSNQRVIAY-WSMDXJOWSA-N. The full InChI is InChI=1S/C14H28O5Si/c1-13(2,3)20(6,7)19-11-10-9(8-16-12(11)15)17-14(4,5)18-10/h9-12,15H,8H2,1-7H3/t9-,10-,11+,12?/m0/s1.
What are the key properties of (3aS,7R,7aS)-7-[tert-butyl(dimethyl)silyl]oxy-2,2-dimethyl-4,6,7,7a-tetrahydro-3aH-[1,3]dioxolo[4,5-c]pyran-6-ol?
(3aS,7R,7aS)-7-[tert-butyl(dimethyl)silyl]oxy-2,2-dimethyl-4,6,7,7a-tetrahydro-3aH-[1,3]dioxolo[4,5-c]pyran-6-ol has a molecular weight of 304.46 g/mol, XLogP of 2.25, 2 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (3aS,7R,7aS)-7-[tert-butyl(dimethyl)silyl]oxy-2,2-dimethyl-4,6,7,7a-tetrahydro-3aH-[1,3]dioxolo[4,5-c]pyran-6-ol is sourced from PubChem (CID 14374539), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).