[(3aS,4R,7R,7aS)-6,7-dimethoxy-2,2-dimethyl-4,6,7,7a-tetrahydro-3aH-[1,3]dioxolo[4,5-c]pyran-4-yl]methoxy-tert-butyl-diphenylsilane

C27H38O6Si — CID 20739059

IUPAC[(3aS,4R,7R,7aS)-6,7-dimethoxy-2,2-dimethyl-4,6,7,7a-tetrahydro-3aH-[1,3]dioxolo[4,5-c]pyran-4-yl]methoxy-tert-butyl-diphenylsilane
SMILESCOC1O[C@H](CO[Si](c2ccccc2)(c2ccccc2)C(C)(C)C)[C@@H]2OC(C)(C)O[C@@H]2[C@H]1OC
InChIInChI=1S/C27H38O6Si/c1-26(2,3)34(19-14-10-8-11-15-19,20-16-12-9-13-17-20)30-18-21-22-23(33-27(4,5)32-22)24(28-6)25(29-7)31-21/h8-17,21-25H,18H2,1-7H3/t21-,22+,23+,24-,25?/m1/s1
InChIKeyLNOZYVHOYMMAMV-VJIQZMARSA-N
MW486.68 g/mol
LogP3.47
Rot. Bonds7

About [(3aS,4R,7R,7aS)-6,7-dimethoxy-2,2-dimethyl-4,6,7,7a-tetrahydro-3aH-[1,3]dioxolo[4,5-c]pyran-4-yl]methoxy-tert-butyl-diphenylsilane

[(3aS,4R,7R,7aS)-6,7-dimethoxy-2,2-dimethyl-4,6,7,7a-tetrahydro-3aH-[1,3]dioxolo[4,5-c]pyran-4-yl]methoxy-tert-butyl-diphenylsilane (PubChem CID 20739059) has the molecular formula C27H38O6Si and a molecular weight of 486.68 g/mol. Its IUPAC name is [(3aS,4R,7R,7aS)-6,7-dimethoxy-2,2-dimethyl-4,6,7,7a-tetrahydro-3aH-[1,3]dioxolo[4,5-c]pyran-4-yl]methoxy-tert-butyl-diphenylsilane.

Molecular Properties

Compound Name[(3aS,4R,7R,7aS)-6,7-dimethoxy-2,2-dimethyl-4,6,7,7a-tetrahydro-3aH-[1,3]dioxolo[4,5-c]pyran-4-yl]methoxy-tert-butyl-diphenylsilane
PubChem CID20739059
Molecular FormulaC27H38O6Si
Molecular Weight486.68 g/mol
Exact Mass486.24
IUPAC Name[(3aS,4R,7R,7aS)-6,7-dimethoxy-2,2-dimethyl-4,6,7,7a-tetrahydro-3aH-[1,3]dioxolo[4,5-c]pyran-4-yl]methoxy-tert-butyl-diphenylsilane
SMILESCOC1O[C@H](CO[Si](c2ccccc2)(c2ccccc2)C(C)(C)C)[C@@H]2OC(C)(C)O[C@@H]2[C@H]1OC
InChIInChI=1S/C27H38O6Si/c1-26(2,3)34(19-14-10-8-11-15-19,20-16-12-9-13-17-20)30-18-21-22-23(33-27(4,5)32-22)24(28-6)25(29-7)31-21/h8-17,21-25H,18H2,1-7H3/t21-,22+,23+,24-,25?/m1/s1
InChIKeyLNOZYVHOYMMAMV-VJIQZMARSA-N
XLogP3.47
TPSA55.38 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500486.68
LogP ≤ 53.47
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,4R,7R,7aS)-6,7-dimethoxy-2,2-dimethyl-4,6,7,7a-tetrahydro-3aH-[1,3]dioxolo[4,5-c]pyran-4-yl]methoxy-tert-butyl-diphenylsilane?
The IUPAC name of [(3aS,4R,7R,7aS)-6,7-dimethoxy-2,2-dimethyl-4,6,7,7a-tetrahydro-3aH-[1,3]dioxolo[4,5-c]pyran-4-yl]methoxy-tert-butyl-diphenylsilane (CID 20739059) is [(3aS,4R,7R,7aS)-6,7-dimethoxy-2,2-dimethyl-4,6,7,7a-tetrahydro-3aH-[1,3]dioxolo[4,5-c]pyran-4-yl]methoxy-tert-butyl-diphenylsilane.
What is the SMILES notation for [(3aS,4R,7R,7aS)-6,7-dimethoxy-2,2-dimethyl-4,6,7,7a-tetrahydro-3aH-[1,3]dioxolo[4,5-c]pyran-4-yl]methoxy-tert-butyl-diphenylsilane?
The canonical SMILES for [(3aS,4R,7R,7aS)-6,7-dimethoxy-2,2-dimethyl-4,6,7,7a-tetrahydro-3aH-[1,3]dioxolo[4,5-c]pyran-4-yl]methoxy-tert-butyl-diphenylsilane is COC1O[C@H](CO[Si](c2ccccc2)(c2ccccc2)C(C)(C)C)[C@@H]2OC(C)(C)O[C@@H]2[C@H]1OC.
What is the InChIKey of [(3aS,4R,7R,7aS)-6,7-dimethoxy-2,2-dimethyl-4,6,7,7a-tetrahydro-3aH-[1,3]dioxolo[4,5-c]pyran-4-yl]methoxy-tert-butyl-diphenylsilane?
The InChIKey is LNOZYVHOYMMAMV-VJIQZMARSA-N. The full InChI is InChI=1S/C27H38O6Si/c1-26(2,3)34(19-14-10-8-11-15-19,20-16-12-9-13-17-20)30-18-21-22-23(33-27(4,5)32-22)24(28-6)25(29-7)31-21/h8-17,21-25H,18H2,1-7H3/t21-,22+,23+,24-,25?/m1/s1.
What are the key properties of [(3aS,4R,7R,7aS)-6,7-dimethoxy-2,2-dimethyl-4,6,7,7a-tetrahydro-3aH-[1,3]dioxolo[4,5-c]pyran-4-yl]methoxy-tert-butyl-diphenylsilane?
[(3aS,4R,7R,7aS)-6,7-dimethoxy-2,2-dimethyl-4,6,7,7a-tetrahydro-3aH-[1,3]dioxolo[4,5-c]pyran-4-yl]methoxy-tert-butyl-diphenylsilane has a molecular weight of 486.68 g/mol, XLogP of 3.47, 7 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for [(3aS,4R,7R,7aS)-6,7-dimethoxy-2,2-dimethyl-4,6,7,7a-tetrahydro-3aH-[1,3]dioxolo[4,5-c]pyran-4-yl]methoxy-tert-butyl-diphenylsilane is sourced from PubChem (CID 20739059), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).