[(4aR,8S)-2,2-dimethyl-6-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-4,4a,8,8a-tetrahydropyrano[3,2-d][1,3,2]dioxasilin-8-yl]oxy-tri(propan-2-yl)silane

C23H45BO6Si2 — CID 91865916

IUPAC[(4aR,8S)-2,2-dimethyl-6-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-4,4a,8,8a-tetrahydropyrano[3,2-d][1,3,2]dioxasilin-8-yl]oxy-tri(propan-2-yl)silane
SMILESCC(C)[Si](O[C@H]1C=C(B2OC(C)(C)C(C)(C)O2)O[C@@H]2CO[Si](C)(C)OC12)(C(C)C)C(C)C
InChIInChI=1S/C23H45BO6Si2/c1-15(2)32(16(3)4,17(5)6)27-18-13-20(24-29-22(7,8)23(9,10)30-24)26-19-14-25-31(11,12)28-21(18)19/h13,15-19,21H,14H2,1-12H3/t18-,19+,21?/m0/s1
InChIKeyFCSIJLUWPWRFDX-KTVLMBSMSA-N
MW484.59 g/mol
LogP5.58
Rot. Bonds6

About [(4aR,8S)-2,2-dimethyl-6-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-4,4a,8,8a-tetrahydropyrano[3,2-d][1,3,2]dioxasilin-8-yl]oxy-tri(propan-2-yl)silane

[(4aR,8S)-2,2-dimethyl-6-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-4,4a,8,8a-tetrahydropyrano[3,2-d][1,3,2]dioxasilin-8-yl]oxy-tri(propan-2-yl)silane (PubChem CID 91865916) has the molecular formula C23H45BO6Si2 and a molecular weight of 484.59 g/mol. Its IUPAC name is [(4aR,8S)-2,2-dimethyl-6-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-4,4a,8,8a-tetrahydropyrano[3,2-d][1,3,2]dioxasilin-8-yl]oxy-tri(propan-2-yl)silane.

Molecular Properties

Compound Name[(4aR,8S)-2,2-dimethyl-6-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-4,4a,8,8a-tetrahydropyrano[3,2-d][1,3,2]dioxasilin-8-yl]oxy-tri(propan-2-yl)silane
PubChem CID91865916
Molecular FormulaC23H45BO6Si2
Molecular Weight484.59 g/mol
Exact Mass484.28
IUPAC Name[(4aR,8S)-2,2-dimethyl-6-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-4,4a,8,8a-tetrahydropyrano[3,2-d][1,3,2]dioxasilin-8-yl]oxy-tri(propan-2-yl)silane
SMILESCC(C)[Si](O[C@H]1C=C(B2OC(C)(C)C(C)(C)O2)O[C@@H]2CO[Si](C)(C)OC12)(C(C)C)C(C)C
InChIInChI=1S/C23H45BO6Si2/c1-15(2)32(16(3)4,17(5)6)27-18-13-20(24-29-22(7,8)23(9,10)30-24)26-19-14-25-31(11,12)28-21(18)19/h13,15-19,21H,14H2,1-12H3/t18-,19+,21?/m0/s1
InChIKeyFCSIJLUWPWRFDX-KTVLMBSMSA-N
XLogP5.58
TPSA55.38 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms32
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500484.59
LogP ≤ 55.58
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

Analyze [(4aR,8S)-2,2-dimethyl-6-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-4,4a,8,8a-tetrahydropyrano[3,2-d][1,3,2]dioxasilin-8-yl]oxy-tri(propan-2-yl)silane with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of [(4aR,8S)-2,2-dimethyl-6-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-4,4a,8,8a-tetrahydropyrano[3,2-d][1,3,2]dioxasilin-8-yl]oxy-tri(propan-2-yl)silane?
The IUPAC name of [(4aR,8S)-2,2-dimethyl-6-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-4,4a,8,8a-tetrahydropyrano[3,2-d][1,3,2]dioxasilin-8-yl]oxy-tri(propan-2-yl)silane (CID 91865916) is [(4aR,8S)-2,2-dimethyl-6-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-4,4a,8,8a-tetrahydropyrano[3,2-d][1,3,2]dioxasilin-8-yl]oxy-tri(propan-2-yl)silane.
What is the SMILES notation for [(4aR,8S)-2,2-dimethyl-6-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-4,4a,8,8a-tetrahydropyrano[3,2-d][1,3,2]dioxasilin-8-yl]oxy-tri(propan-2-yl)silane?
The canonical SMILES for [(4aR,8S)-2,2-dimethyl-6-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-4,4a,8,8a-tetrahydropyrano[3,2-d][1,3,2]dioxasilin-8-yl]oxy-tri(propan-2-yl)silane is CC(C)[Si](O[C@H]1C=C(B2OC(C)(C)C(C)(C)O2)O[C@@H]2CO[Si](C)(C)OC12)(C(C)C)C(C)C.
What is the InChIKey of [(4aR,8S)-2,2-dimethyl-6-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-4,4a,8,8a-tetrahydropyrano[3,2-d][1,3,2]dioxasilin-8-yl]oxy-tri(propan-2-yl)silane?
The InChIKey is FCSIJLUWPWRFDX-KTVLMBSMSA-N. The full InChI is InChI=1S/C23H45BO6Si2/c1-15(2)32(16(3)4,17(5)6)27-18-13-20(24-29-22(7,8)23(9,10)30-24)26-19-14-25-31(11,12)28-21(18)19/h13,15-19,21H,14H2,1-12H3/t18-,19+,21?/m0/s1.
What are the key properties of [(4aR,8S)-2,2-dimethyl-6-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-4,4a,8,8a-tetrahydropyrano[3,2-d][1,3,2]dioxasilin-8-yl]oxy-tri(propan-2-yl)silane?
[(4aR,8S)-2,2-dimethyl-6-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-4,4a,8,8a-tetrahydropyrano[3,2-d][1,3,2]dioxasilin-8-yl]oxy-tri(propan-2-yl)silane has a molecular weight of 484.59 g/mol, XLogP of 5.58, 6 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for [(4aR,8S)-2,2-dimethyl-6-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-4,4a,8,8a-tetrahydropyrano[3,2-d][1,3,2]dioxasilin-8-yl]oxy-tri(propan-2-yl)silane is sourced from PubChem (CID 91865916), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).