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

C29H42O6Si — CID 20739056

IUPAC[(3aS,4R,7R,7aS)-6-methoxy-2,2-dimethyl-7-propoxy-4,6,7,7a-tetrahydro-3aH-[1,3]dioxolo[4,5-c]pyran-4-yl]methoxy-tert-butyl-diphenylsilane
SMILESCCCO[C@H]1C(OC)O[C@H](CO[Si](c2ccccc2)(c2ccccc2)C(C)(C)C)[C@@H]2OC(C)(C)O[C@@H]21
InChIInChI=1S/C29H42O6Si/c1-8-19-31-26-25-24(34-29(5,6)35-25)23(33-27(26)30-7)20-32-36(28(2,3)4,21-15-11-9-12-16-21)22-17-13-10-14-18-22/h9-18,23-27H,8,19-20H2,1-7H3/t23-,24+,25+,26-,27?/m1/s1
InChIKeyOQKOAVVYBJYSMO-TYQVVOABSA-N
MW514.74 g/mol
LogP4.25
Rot. Bonds9

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

[(3aS,4R,7R,7aS)-6-methoxy-2,2-dimethyl-7-propoxy-4,6,7,7a-tetrahydro-3aH-[1,3]dioxolo[4,5-c]pyran-4-yl]methoxy-tert-butyl-diphenylsilane (PubChem CID 20739056) has the molecular formula C29H42O6Si and a molecular weight of 514.74 g/mol. Its IUPAC name is [(3aS,4R,7R,7aS)-6-methoxy-2,2-dimethyl-7-propoxy-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-methoxy-2,2-dimethyl-7-propoxy-4,6,7,7a-tetrahydro-3aH-[1,3]dioxolo[4,5-c]pyran-4-yl]methoxy-tert-butyl-diphenylsilane
PubChem CID20739056
Molecular FormulaC29H42O6Si
Molecular Weight514.74 g/mol
Exact Mass514.28
IUPAC Name[(3aS,4R,7R,7aS)-6-methoxy-2,2-dimethyl-7-propoxy-4,6,7,7a-tetrahydro-3aH-[1,3]dioxolo[4,5-c]pyran-4-yl]methoxy-tert-butyl-diphenylsilane
SMILESCCCO[C@H]1C(OC)O[C@H](CO[Si](c2ccccc2)(c2ccccc2)C(C)(C)C)[C@@H]2OC(C)(C)O[C@@H]21
InChIInChI=1S/C29H42O6Si/c1-8-19-31-26-25-24(34-29(5,6)35-25)23(33-27(26)30-7)20-32-36(28(2,3)4,21-15-11-9-12-16-21)22-17-13-10-14-18-22/h9-18,23-27H,8,19-20H2,1-7H3/t23-,24+,25+,26-,27?/m1/s1
InChIKeyOQKOAVVYBJYSMO-TYQVVOABSA-N
XLogP4.25
TPSA55.38 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds9
Heavy Atoms36
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500514.74
LogP ≤ 54.25
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-methoxy-2,2-dimethyl-7-propoxy-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-methoxy-2,2-dimethyl-7-propoxy-4,6,7,7a-tetrahydro-3aH-[1,3]dioxolo[4,5-c]pyran-4-yl]methoxy-tert-butyl-diphenylsilane (CID 20739056) is [(3aS,4R,7R,7aS)-6-methoxy-2,2-dimethyl-7-propoxy-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-methoxy-2,2-dimethyl-7-propoxy-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-methoxy-2,2-dimethyl-7-propoxy-4,6,7,7a-tetrahydro-3aH-[1,3]dioxolo[4,5-c]pyran-4-yl]methoxy-tert-butyl-diphenylsilane is CCCO[C@H]1C(OC)O[C@H](CO[Si](c2ccccc2)(c2ccccc2)C(C)(C)C)[C@@H]2OC(C)(C)O[C@@H]21.
What is the InChIKey of [(3aS,4R,7R,7aS)-6-methoxy-2,2-dimethyl-7-propoxy-4,6,7,7a-tetrahydro-3aH-[1,3]dioxolo[4,5-c]pyran-4-yl]methoxy-tert-butyl-diphenylsilane?
The InChIKey is OQKOAVVYBJYSMO-TYQVVOABSA-N. The full InChI is InChI=1S/C29H42O6Si/c1-8-19-31-26-25-24(34-29(5,6)35-25)23(33-27(26)30-7)20-32-36(28(2,3)4,21-15-11-9-12-16-21)22-17-13-10-14-18-22/h9-18,23-27H,8,19-20H2,1-7H3/t23-,24+,25+,26-,27?/m1/s1.
What are the key properties of [(3aS,4R,7R,7aS)-6-methoxy-2,2-dimethyl-7-propoxy-4,6,7,7a-tetrahydro-3aH-[1,3]dioxolo[4,5-c]pyran-4-yl]methoxy-tert-butyl-diphenylsilane?
[(3aS,4R,7R,7aS)-6-methoxy-2,2-dimethyl-7-propoxy-4,6,7,7a-tetrahydro-3aH-[1,3]dioxolo[4,5-c]pyran-4-yl]methoxy-tert-butyl-diphenylsilane has a molecular weight of 514.74 g/mol, XLogP of 4.25, 9 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-methoxy-2,2-dimethyl-7-propoxy-4,6,7,7a-tetrahydro-3aH-[1,3]dioxolo[4,5-c]pyran-4-yl]methoxy-tert-butyl-diphenylsilane is sourced from PubChem (CID 20739056), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).