[(4aR,8R,8aR)-2,2-ditert-butyl-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

C29H57BO6Si2 — CID 58242606

IUPAC[(4aR,8R,8aR)-2,2-ditert-butyl-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)(C)C)(C(C)(C)C)O[C@@H]12)(C(C)C)C(C)C
InChIInChI=1S/C29H57BO6Si2/c1-19(2)37(20(3)4,21(5)6)33-22-17-24(30-35-28(13,14)29(15,16)36-30)32-23-18-31-38(26(7,8)9,27(10,11)12)34-25(22)23/h17,19-23,25H,18H2,1-16H3/t22-,23-,25+/m1/s1
InChIKeyQKHGJCNVRPQHPY-OYRHQHFDSA-N
MW568.75 g/mol
LogP7.92
Rot. Bonds6

About [(4aR,8R,8aR)-2,2-ditert-butyl-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,8R,8aR)-2,2-ditert-butyl-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 58242606) has the molecular formula C29H57BO6Si2 and a molecular weight of 568.75 g/mol. Its IUPAC name is [(4aR,8R,8aR)-2,2-ditert-butyl-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,8R,8aR)-2,2-ditert-butyl-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 CID58242606
Molecular FormulaC29H57BO6Si2
Molecular Weight568.75 g/mol
Exact Mass568.38
IUPAC Name[(4aR,8R,8aR)-2,2-ditert-butyl-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)(C)C)(C(C)(C)C)O[C@@H]12)(C(C)C)C(C)C
InChIInChI=1S/C29H57BO6Si2/c1-19(2)37(20(3)4,21(5)6)33-22-17-24(30-35-28(13,14)29(15,16)36-30)32-23-18-31-38(26(7,8)9,27(10,11)12)34-25(22)23/h17,19-23,25H,18H2,1-16H3/t22-,23-,25+/m1/s1
InChIKeyQKHGJCNVRPQHPY-OYRHQHFDSA-N
XLogP7.92
TPSA55.38 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms38
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500568.75
LogP ≤ 57.92
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

Analyze [(4aR,8R,8aR)-2,2-ditert-butyl-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

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Related Compounds

CID 16071211
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CID 134940723
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CID 58242631
CID 60041240
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CID 60041256
CID 60041256
CID 60041260
CID 60041260
CID 70847464
CID 70847464
CID 70847474
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CID 91865916
CID 91865916
CID 91865917
CID 91865917
CID 140804777
CID 140804777
CID 140804781
CID 140804781

Frequently Asked Questions

What is the IUPAC name of [(4aR,8R,8aR)-2,2-ditert-butyl-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,8R,8aR)-2,2-ditert-butyl-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 58242606) is [(4aR,8R,8aR)-2,2-ditert-butyl-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,8R,8aR)-2,2-ditert-butyl-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,8R,8aR)-2,2-ditert-butyl-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)(C)C)(C(C)(C)C)O[C@@H]12)(C(C)C)C(C)C.
What is the InChIKey of [(4aR,8R,8aR)-2,2-ditert-butyl-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 QKHGJCNVRPQHPY-OYRHQHFDSA-N. The full InChI is InChI=1S/C29H57BO6Si2/c1-19(2)37(20(3)4,21(5)6)33-22-17-24(30-35-28(13,14)29(15,16)36-30)32-23-18-31-38(26(7,8)9,27(10,11)12)34-25(22)23/h17,19-23,25H,18H2,1-16H3/t22-,23-,25+/m1/s1.
What are the key properties of [(4aR,8R,8aR)-2,2-ditert-butyl-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,8R,8aR)-2,2-ditert-butyl-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 568.75 g/mol, XLogP of 7.92, 6 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for [(4aR,8R,8aR)-2,2-ditert-butyl-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 58242606), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).