[(3aS,6R,6aR)-2,2-dimethyl-4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-6,6a-dihydro-3aH-cyclopenta[d][1,3]dioxol-6-yl]methoxy-tert-butyl-dimethylsilane

C21H39BO5Si — CID 135396600

IUPAC[(3aS,6R,6aR)-2,2-dimethyl-4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-6,6a-dihydro-3aH-cyclopenta[d][1,3]dioxol-6-yl]methoxy-tert-butyl-dimethylsilane
SMILESCC1(C)O[C@@H]2[C@@H](CO[Si](C)(C)C(C)(C)C)C=C(B3OC(C)(C)C(C)(C)O3)[C@@H]2O1
InChIInChI=1S/C21H39BO5Si/c1-18(2,3)28(10,11)23-13-14-12-15(17-16(14)24-21(8,9)25-17)22-26-19(4,5)20(6,7)27-22/h12,14,16-17H,13H2,1-11H3/t14-,16-,17+/m1/s1
InChIKeyFDCFBQHLRBVOMG-OIISXLGYSA-N
MW410.44 g/mol
LogP4.72
Rot. Bonds4

About [(3aS,6R,6aR)-2,2-dimethyl-4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-6,6a-dihydro-3aH-cyclopenta[d][1,3]dioxol-6-yl]methoxy-tert-butyl-dimethylsilane

[(3aS,6R,6aR)-2,2-dimethyl-4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-6,6a-dihydro-3aH-cyclopenta[d][1,3]dioxol-6-yl]methoxy-tert-butyl-dimethylsilane (PubChem CID 135396600) has the molecular formula C21H39BO5Si and a molecular weight of 410.44 g/mol. Its IUPAC name is [(3aS,6R,6aR)-2,2-dimethyl-4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-6,6a-dihydro-3aH-cyclopenta[d][1,3]dioxol-6-yl]methoxy-tert-butyl-dimethylsilane.

Molecular Properties

Compound Name[(3aS,6R,6aR)-2,2-dimethyl-4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-6,6a-dihydro-3aH-cyclopenta[d][1,3]dioxol-6-yl]methoxy-tert-butyl-dimethylsilane
PubChem CID135396600
Molecular FormulaC21H39BO5Si
Molecular Weight410.44 g/mol
Exact Mass410.27
IUPAC Name[(3aS,6R,6aR)-2,2-dimethyl-4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-6,6a-dihydro-3aH-cyclopenta[d][1,3]dioxol-6-yl]methoxy-tert-butyl-dimethylsilane
SMILESCC1(C)O[C@@H]2[C@@H](CO[Si](C)(C)C(C)(C)C)C=C(B3OC(C)(C)C(C)(C)O3)[C@@H]2O1
InChIInChI=1S/C21H39BO5Si/c1-18(2,3)28(10,11)23-13-14-12-15(17-16(14)24-21(8,9)25-17)22-26-19(4,5)20(6,7)27-22/h12,14,16-17H,13H2,1-11H3/t14-,16-,17+/m1/s1
InChIKeyFDCFBQHLRBVOMG-OIISXLGYSA-N
XLogP4.72
TPSA46.15 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500410.44
LogP ≤ 54.72
H-Bond Donors ≤ 50
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,6R,6aR)-2,2-dimethyl-4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-6,6a-dihydro-3aH-cyclopenta[d][1,3]dioxol-6-yl]methoxy-tert-butyl-dimethylsilane?
The IUPAC name of [(3aS,6R,6aR)-2,2-dimethyl-4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-6,6a-dihydro-3aH-cyclopenta[d][1,3]dioxol-6-yl]methoxy-tert-butyl-dimethylsilane (CID 135396600) is [(3aS,6R,6aR)-2,2-dimethyl-4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-6,6a-dihydro-3aH-cyclopenta[d][1,3]dioxol-6-yl]methoxy-tert-butyl-dimethylsilane.
What is the SMILES notation for [(3aS,6R,6aR)-2,2-dimethyl-4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-6,6a-dihydro-3aH-cyclopenta[d][1,3]dioxol-6-yl]methoxy-tert-butyl-dimethylsilane?
The canonical SMILES for [(3aS,6R,6aR)-2,2-dimethyl-4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-6,6a-dihydro-3aH-cyclopenta[d][1,3]dioxol-6-yl]methoxy-tert-butyl-dimethylsilane is CC1(C)O[C@@H]2[C@@H](CO[Si](C)(C)C(C)(C)C)C=C(B3OC(C)(C)C(C)(C)O3)[C@@H]2O1.
What is the InChIKey of [(3aS,6R,6aR)-2,2-dimethyl-4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-6,6a-dihydro-3aH-cyclopenta[d][1,3]dioxol-6-yl]methoxy-tert-butyl-dimethylsilane?
The InChIKey is FDCFBQHLRBVOMG-OIISXLGYSA-N. The full InChI is InChI=1S/C21H39BO5Si/c1-18(2,3)28(10,11)23-13-14-12-15(17-16(14)24-21(8,9)25-17)22-26-19(4,5)20(6,7)27-22/h12,14,16-17H,13H2,1-11H3/t14-,16-,17+/m1/s1.
What are the key properties of [(3aS,6R,6aR)-2,2-dimethyl-4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-6,6a-dihydro-3aH-cyclopenta[d][1,3]dioxol-6-yl]methoxy-tert-butyl-dimethylsilane?
[(3aS,6R,6aR)-2,2-dimethyl-4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-6,6a-dihydro-3aH-cyclopenta[d][1,3]dioxol-6-yl]methoxy-tert-butyl-dimethylsilane has a molecular weight of 410.44 g/mol, XLogP of 4.72, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [(3aS,6R,6aR)-2,2-dimethyl-4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-6,6a-dihydro-3aH-cyclopenta[d][1,3]dioxol-6-yl]methoxy-tert-butyl-dimethylsilane is sourced from PubChem (CID 135396600), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).