[(4aR,6S,7R,9Z,11aS)-7-[tert-butyl(dimethyl)silyl]oxy-4a,6,7,8,11,11a-hexahydro-4H-[1,3]dioxino[5,4-b]oxonin-6-yl]methoxy-tert-butyl-dimethylsilane

C23H46O5Si2 — CID 101386084

IUPAC[(4aR,6S,7R,9Z,11aS)-7-[tert-butyl(dimethyl)silyl]oxy-4a,6,7,8,11,11a-hexahydro-4H-[1,3]dioxino[5,4-b]oxonin-6-yl]methoxy-tert-butyl-dimethylsilane
SMILESCC(C)(C)[Si](C)(C)OC[C@@H]1O[C@@H]2COCO[C@H]2C/C=C\C[C@H]1O[Si](C)(C)C(C)(C)C
InChIInChI=1S/C23H46O5Si2/c1-22(2,3)29(7,8)26-16-21-19(28-30(9,10)23(4,5)6)14-12-11-13-18-20(27-21)15-24-17-25-18/h11-12,18-21H,13-17H2,1-10H3/b12-11-/t18-,19+,20+,21-/m0/s1
InChIKeyWWRGWKNGXGOVTR-QPUNYICASA-N
MW458.79 g/mol
LogP5.88
Rot. Bonds5

About [(4aR,6S,7R,9Z,11aS)-7-[tert-butyl(dimethyl)silyl]oxy-4a,6,7,8,11,11a-hexahydro-4H-[1,3]dioxino[5,4-b]oxonin-6-yl]methoxy-tert-butyl-dimethylsilane

[(4aR,6S,7R,9Z,11aS)-7-[tert-butyl(dimethyl)silyl]oxy-4a,6,7,8,11,11a-hexahydro-4H-[1,3]dioxino[5,4-b]oxonin-6-yl]methoxy-tert-butyl-dimethylsilane (PubChem CID 101386084) has the molecular formula C23H46O5Si2 and a molecular weight of 458.79 g/mol. Its IUPAC name is [(4aR,6S,7R,9Z,11aS)-7-[tert-butyl(dimethyl)silyl]oxy-4a,6,7,8,11,11a-hexahydro-4H-[1,3]dioxino[5,4-b]oxonin-6-yl]methoxy-tert-butyl-dimethylsilane.

Molecular Properties

Compound Name[(4aR,6S,7R,9Z,11aS)-7-[tert-butyl(dimethyl)silyl]oxy-4a,6,7,8,11,11a-hexahydro-4H-[1,3]dioxino[5,4-b]oxonin-6-yl]methoxy-tert-butyl-dimethylsilane
PubChem CID101386084
Molecular FormulaC23H46O5Si2
Molecular Weight458.79 g/mol
Exact Mass458.29
IUPAC Name[(4aR,6S,7R,9Z,11aS)-7-[tert-butyl(dimethyl)silyl]oxy-4a,6,7,8,11,11a-hexahydro-4H-[1,3]dioxino[5,4-b]oxonin-6-yl]methoxy-tert-butyl-dimethylsilane
SMILESCC(C)(C)[Si](C)(C)OC[C@@H]1O[C@@H]2COCO[C@H]2C/C=C\C[C@H]1O[Si](C)(C)C(C)(C)C
InChIInChI=1S/C23H46O5Si2/c1-22(2,3)29(7,8)26-16-21-19(28-30(9,10)23(4,5)6)14-12-11-13-18-20(27-21)15-24-17-25-18/h11-12,18-21H,13-17H2,1-10H3/b12-11-/t18-,19+,20+,21-/m0/s1
InChIKeyWWRGWKNGXGOVTR-QPUNYICASA-N
XLogP5.88
TPSA46.15 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms30
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500458.79
LogP ≤ 55.88
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

Analyze [(4aR,6S,7R,9Z,11aS)-7-[tert-butyl(dimethyl)silyl]oxy-4a,6,7,8,11,11a-hexahydro-4H-[1,3]dioxino[5,4-b]oxonin-6-yl]methoxy-tert-butyl-dimethylsilane with MolForge

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Frequently Asked Questions

What is the IUPAC name of [(4aR,6S,7R,9Z,11aS)-7-[tert-butyl(dimethyl)silyl]oxy-4a,6,7,8,11,11a-hexahydro-4H-[1,3]dioxino[5,4-b]oxonin-6-yl]methoxy-tert-butyl-dimethylsilane?
The IUPAC name of [(4aR,6S,7R,9Z,11aS)-7-[tert-butyl(dimethyl)silyl]oxy-4a,6,7,8,11,11a-hexahydro-4H-[1,3]dioxino[5,4-b]oxonin-6-yl]methoxy-tert-butyl-dimethylsilane (CID 101386084) is [(4aR,6S,7R,9Z,11aS)-7-[tert-butyl(dimethyl)silyl]oxy-4a,6,7,8,11,11a-hexahydro-4H-[1,3]dioxino[5,4-b]oxonin-6-yl]methoxy-tert-butyl-dimethylsilane.
What is the SMILES notation for [(4aR,6S,7R,9Z,11aS)-7-[tert-butyl(dimethyl)silyl]oxy-4a,6,7,8,11,11a-hexahydro-4H-[1,3]dioxino[5,4-b]oxonin-6-yl]methoxy-tert-butyl-dimethylsilane?
The canonical SMILES for [(4aR,6S,7R,9Z,11aS)-7-[tert-butyl(dimethyl)silyl]oxy-4a,6,7,8,11,11a-hexahydro-4H-[1,3]dioxino[5,4-b]oxonin-6-yl]methoxy-tert-butyl-dimethylsilane is CC(C)(C)[Si](C)(C)OC[C@@H]1O[C@@H]2COCO[C@H]2C/C=C\C[C@H]1O[Si](C)(C)C(C)(C)C.
What is the InChIKey of [(4aR,6S,7R,9Z,11aS)-7-[tert-butyl(dimethyl)silyl]oxy-4a,6,7,8,11,11a-hexahydro-4H-[1,3]dioxino[5,4-b]oxonin-6-yl]methoxy-tert-butyl-dimethylsilane?
The InChIKey is WWRGWKNGXGOVTR-QPUNYICASA-N. The full InChI is InChI=1S/C23H46O5Si2/c1-22(2,3)29(7,8)26-16-21-19(28-30(9,10)23(4,5)6)14-12-11-13-18-20(27-21)15-24-17-25-18/h11-12,18-21H,13-17H2,1-10H3/b12-11-/t18-,19+,20+,21-/m0/s1.
What are the key properties of [(4aR,6S,7R,9Z,11aS)-7-[tert-butyl(dimethyl)silyl]oxy-4a,6,7,8,11,11a-hexahydro-4H-[1,3]dioxino[5,4-b]oxonin-6-yl]methoxy-tert-butyl-dimethylsilane?
[(4aR,6S,7R,9Z,11aS)-7-[tert-butyl(dimethyl)silyl]oxy-4a,6,7,8,11,11a-hexahydro-4H-[1,3]dioxino[5,4-b]oxonin-6-yl]methoxy-tert-butyl-dimethylsilane has a molecular weight of 458.79 g/mol, XLogP of 5.88, 5 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [(4aR,6S,7R,9Z,11aS)-7-[tert-butyl(dimethyl)silyl]oxy-4a,6,7,8,11,11a-hexahydro-4H-[1,3]dioxino[5,4-b]oxonin-6-yl]methoxy-tert-butyl-dimethylsilane is sourced from PubChem (CID 101386084), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).