(3aS,5R,6S,6aS)-5-[[tert-butyl(diphenyl)silyl]oxymethyl]-6-(3-hydroxypropyl)-2,2-dimethyl-5,6a-dihydro-3aH-furo[2,3-d][1,3]dioxol-6-ol

C27H38O6Si — CID 10648651

IUPAC(3aS,5R,6S,6aS)-5-[[tert-butyl(diphenyl)silyl]oxymethyl]-6-(3-hydroxypropyl)-2,2-dimethyl-5,6a-dihydro-3aH-furo[2,3-d][1,3]dioxol-6-ol
SMILESCC1(C)O[C@@H]2O[C@H](CO[Si](c3ccccc3)(c3ccccc3)C(C)(C)C)[C@@](O)(CCCO)[C@@H]2O1
InChIInChI=1S/C27H38O6Si/c1-25(2,3)34(20-13-8-6-9-14-20,21-15-10-7-11-16-21)30-19-22-27(29,17-12-18-28)23-24(31-22)33-26(4,5)32-23/h6-11,13-16,22-24,28-29H,12,17-19H2,1-5H3/t22-,23-,24+,27+/m1/s1
InChIKeyLUZYAANOZUNEEJ-INADMSBESA-N
MW486.68 g/mol
LogP2.94
Rot. Bonds8

About (3aS,5R,6S,6aS)-5-[[tert-butyl(diphenyl)silyl]oxymethyl]-6-(3-hydroxypropyl)-2,2-dimethyl-5,6a-dihydro-3aH-furo[2,3-d][1,3]dioxol-6-ol

(3aS,5R,6S,6aS)-5-[[tert-butyl(diphenyl)silyl]oxymethyl]-6-(3-hydroxypropyl)-2,2-dimethyl-5,6a-dihydro-3aH-furo[2,3-d][1,3]dioxol-6-ol (PubChem CID 10648651) has the molecular formula C27H38O6Si and a molecular weight of 486.68 g/mol. Its IUPAC name is (3aS,5R,6S,6aS)-5-[[tert-butyl(diphenyl)silyl]oxymethyl]-6-(3-hydroxypropyl)-2,2-dimethyl-5,6a-dihydro-3aH-furo[2,3-d][1,3]dioxol-6-ol.

Molecular Properties

Compound Name(3aS,5R,6S,6aS)-5-[[tert-butyl(diphenyl)silyl]oxymethyl]-6-(3-hydroxypropyl)-2,2-dimethyl-5,6a-dihydro-3aH-furo[2,3-d][1,3]dioxol-6-ol
PubChem CID10648651
Molecular FormulaC27H38O6Si
Molecular Weight486.68 g/mol
Exact Mass486.24
IUPAC Name(3aS,5R,6S,6aS)-5-[[tert-butyl(diphenyl)silyl]oxymethyl]-6-(3-hydroxypropyl)-2,2-dimethyl-5,6a-dihydro-3aH-furo[2,3-d][1,3]dioxol-6-ol
SMILESCC1(C)O[C@@H]2O[C@H](CO[Si](c3ccccc3)(c3ccccc3)C(C)(C)C)[C@@](O)(CCCO)[C@@H]2O1
InChIInChI=1S/C27H38O6Si/c1-25(2,3)34(20-13-8-6-9-14-20,21-15-10-7-11-16-21)30-19-22-27(29,17-12-18-28)23-24(31-22)33-26(4,5)32-23/h6-11,13-16,22-24,28-29H,12,17-19H2,1-5H3/t22-,23-,24+,27+/m1/s1
InChIKeyLUZYAANOZUNEEJ-INADMSBESA-N
XLogP2.94
TPSA77.38 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds8
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500486.68
LogP ≤ 52.94
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

Analyze (3aS,5R,6S,6aS)-5-[[tert-butyl(diphenyl)silyl]oxymethyl]-6-(3-hydroxypropyl)-2,2-dimethyl-5,6a-dihydro-3aH-furo[2,3-d][1,3]dioxol-6-ol with MolForge

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Frequently Asked Questions

What is the IUPAC name of (3aS,5R,6S,6aS)-5-[[tert-butyl(diphenyl)silyl]oxymethyl]-6-(3-hydroxypropyl)-2,2-dimethyl-5,6a-dihydro-3aH-furo[2,3-d][1,3]dioxol-6-ol?
The IUPAC name of (3aS,5R,6S,6aS)-5-[[tert-butyl(diphenyl)silyl]oxymethyl]-6-(3-hydroxypropyl)-2,2-dimethyl-5,6a-dihydro-3aH-furo[2,3-d][1,3]dioxol-6-ol (CID 10648651) is (3aS,5R,6S,6aS)-5-[[tert-butyl(diphenyl)silyl]oxymethyl]-6-(3-hydroxypropyl)-2,2-dimethyl-5,6a-dihydro-3aH-furo[2,3-d][1,3]dioxol-6-ol.
What is the SMILES notation for (3aS,5R,6S,6aS)-5-[[tert-butyl(diphenyl)silyl]oxymethyl]-6-(3-hydroxypropyl)-2,2-dimethyl-5,6a-dihydro-3aH-furo[2,3-d][1,3]dioxol-6-ol?
The canonical SMILES for (3aS,5R,6S,6aS)-5-[[tert-butyl(diphenyl)silyl]oxymethyl]-6-(3-hydroxypropyl)-2,2-dimethyl-5,6a-dihydro-3aH-furo[2,3-d][1,3]dioxol-6-ol is CC1(C)O[C@@H]2O[C@H](CO[Si](c3ccccc3)(c3ccccc3)C(C)(C)C)[C@@](O)(CCCO)[C@@H]2O1.
What is the InChIKey of (3aS,5R,6S,6aS)-5-[[tert-butyl(diphenyl)silyl]oxymethyl]-6-(3-hydroxypropyl)-2,2-dimethyl-5,6a-dihydro-3aH-furo[2,3-d][1,3]dioxol-6-ol?
The InChIKey is LUZYAANOZUNEEJ-INADMSBESA-N. The full InChI is InChI=1S/C27H38O6Si/c1-25(2,3)34(20-13-8-6-9-14-20,21-15-10-7-11-16-21)30-19-22-27(29,17-12-18-28)23-24(31-22)33-26(4,5)32-23/h6-11,13-16,22-24,28-29H,12,17-19H2,1-5H3/t22-,23-,24+,27+/m1/s1.
What are the key properties of (3aS,5R,6S,6aS)-5-[[tert-butyl(diphenyl)silyl]oxymethyl]-6-(3-hydroxypropyl)-2,2-dimethyl-5,6a-dihydro-3aH-furo[2,3-d][1,3]dioxol-6-ol?
(3aS,5R,6S,6aS)-5-[[tert-butyl(diphenyl)silyl]oxymethyl]-6-(3-hydroxypropyl)-2,2-dimethyl-5,6a-dihydro-3aH-furo[2,3-d][1,3]dioxol-6-ol has a molecular weight of 486.68 g/mol, XLogP of 2.94, 8 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for (3aS,5R,6S,6aS)-5-[[tert-butyl(diphenyl)silyl]oxymethyl]-6-(3-hydroxypropyl)-2,2-dimethyl-5,6a-dihydro-3aH-furo[2,3-d][1,3]dioxol-6-ol is sourced from PubChem (CID 10648651), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).