[(4aR,5'R,6R,8R,8aR)-2,2-ditert-butyl-5'-[[tert-butyl(dimethyl)silyl]oxymethyl]spiro[4a,7,8,8a-tetrahydro-4H-pyrano[3,2-d][1,3,2]dioxasiline-6,2'-oxolane]-8-yl]oxy-tri(propan-2-yl)silane

C33H68O6Si3 — CID 102212917

IUPAC[(4aR,5'R,6R,8R,8aR)-2,2-ditert-butyl-5'-[[tert-butyl(dimethyl)silyl]oxymethyl]spiro[4a,7,8,8a-tetrahydro-4H-pyrano[3,2-d][1,3,2]dioxasiline-6,2'-oxolane]-8-yl]oxy-tri(propan-2-yl)silane
SMILESCC(C)[Si](O[C@@H]1C[C@@]2(CC[C@H](CO[Si](C)(C)C(C)(C)C)O2)O[C@@H]2CO[Si](C(C)(C)C)(C(C)(C)C)O[C@H]21)(C(C)C)C(C)C
InChIInChI=1S/C33H68O6Si3/c1-23(2)41(24(3)4,25(5)6)38-27-20-33(19-18-26(36-33)21-34-40(16,17)30(7,8)9)37-28-22-35-42(31(10,11)12,32(13,14)15)39-29(27)28/h23-29H,18-22H2,1-17H3/t26-,27-,28-,29+,33-/m1/s1
InChIKeyHHJHHSYRNJFVRV-OAXCKUSNSA-N
MW645.16 g/mol
LogP9.69
Rot. Bonds8

About [(4aR,5'R,6R,8R,8aR)-2,2-ditert-butyl-5'-[[tert-butyl(dimethyl)silyl]oxymethyl]spiro[4a,7,8,8a-tetrahydro-4H-pyrano[3,2-d][1,3,2]dioxasiline-6,2'-oxolane]-8-yl]oxy-tri(propan-2-yl)silane

[(4aR,5'R,6R,8R,8aR)-2,2-ditert-butyl-5'-[[tert-butyl(dimethyl)silyl]oxymethyl]spiro[4a,7,8,8a-tetrahydro-4H-pyrano[3,2-d][1,3,2]dioxasiline-6,2'-oxolane]-8-yl]oxy-tri(propan-2-yl)silane (PubChem CID 102212917) has the molecular formula C33H68O6Si3 and a molecular weight of 645.16 g/mol. Its IUPAC name is [(4aR,5'R,6R,8R,8aR)-2,2-ditert-butyl-5'-[[tert-butyl(dimethyl)silyl]oxymethyl]spiro[4a,7,8,8a-tetrahydro-4H-pyrano[3,2-d][1,3,2]dioxasiline-6,2'-oxolane]-8-yl]oxy-tri(propan-2-yl)silane.

Molecular Properties

Compound Name[(4aR,5'R,6R,8R,8aR)-2,2-ditert-butyl-5'-[[tert-butyl(dimethyl)silyl]oxymethyl]spiro[4a,7,8,8a-tetrahydro-4H-pyrano[3,2-d][1,3,2]dioxasiline-6,2'-oxolane]-8-yl]oxy-tri(propan-2-yl)silane
PubChem CID102212917
Molecular FormulaC33H68O6Si3
Molecular Weight645.16 g/mol
Exact Mass644.43
IUPAC Name[(4aR,5'R,6R,8R,8aR)-2,2-ditert-butyl-5'-[[tert-butyl(dimethyl)silyl]oxymethyl]spiro[4a,7,8,8a-tetrahydro-4H-pyrano[3,2-d][1,3,2]dioxasiline-6,2'-oxolane]-8-yl]oxy-tri(propan-2-yl)silane
SMILESCC(C)[Si](O[C@@H]1C[C@@]2(CC[C@H](CO[Si](C)(C)C(C)(C)C)O2)O[C@@H]2CO[Si](C(C)(C)C)(C(C)(C)C)O[C@H]21)(C(C)C)C(C)C
InChIInChI=1S/C33H68O6Si3/c1-23(2)41(24(3)4,25(5)6)38-27-20-33(19-18-26(36-33)21-34-40(16,17)30(7,8)9)37-28-22-35-42(31(10,11)12,32(13,14)15)39-29(27)28/h23-29H,18-22H2,1-17H3/t26-,27-,28-,29+,33-/m1/s1
InChIKeyHHJHHSYRNJFVRV-OAXCKUSNSA-N
XLogP9.69
TPSA55.38 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds8
Heavy Atoms42
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500645.16
LogP ≤ 59.69
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

Analyze [(4aR,5'R,6R,8R,8aR)-2,2-ditert-butyl-5'-[[tert-butyl(dimethyl)silyl]oxymethyl]spiro[4a,7,8,8a-tetrahydro-4H-pyrano[3,2-d][1,3,2]dioxasiline-6,2'-oxolane]-8-yl]oxy-tri(propan-2-yl)silane with MolForge

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Related Compounds

[(1R)-1-[(2R,3S,4R)-3,4-bis[[tert-butyl(dimethyl)silyl]oxy]-1,6-dioxaspiro[4.4]nonan-2-yl]-2-[tert-butyl(dimethyl)silyl]oxyethoxy]-tert-butyl-dimethylsilane
CID 11365927
(4S,4'aR,7'R,8'aR)-7'-[tert-butyl(dimethyl)silyl]oxy-6',6'-dimethylspiro[1,3-dioxolane-4,3'-2,4,4a,7,8,8a-hexahydropyrano[3,2-b]pyran]-2-one
CID 102380500
[(4S,6S)-6-[[(4R)-6-[[(4S)-2,2-dimethyl-6-[tri(propan-2-yl)silyloxymethyl]-1,3-dioxan-4-yl]methyl]-2,2-dimethyl-1,3-dioxan-4-yl]methyl]-2,2-dimethyl-1,3-dioxan-4-yl]methoxy-tri(propan-2-yl)silane
CID 134905386
[(4S,6S)-6-[[(4R,6R)-6-[[(4S)-2,2-dimethyl-6-[tri(propan-2-yl)silyloxymethyl]-1,3-dioxan-4-yl]methyl]-2,2-dimethyl-1,3-dioxan-4-yl]methyl]-2,2-dimethyl-1,3-dioxan-4-yl]methoxy-tri(propan-2-yl)silane
CID 134906573
[(2R)-7-[(4S,5S)-5-[(1R)-1,2-bis[[tert-butyl(dimethyl)silyl]oxy]ethyl]-2,2-dimethyl-1,3-dioxolan-4-yl]heptan-2-yl]oxy-tert-butyl-dimethylsilane
CID 135014563
tert-butyl-[(1S,3S)-1-[(4R)-2,2-dimethyl-1,3-dioxolan-4-yl]-3-(methoxymethoxy)hexoxy]-dimethylsilane
CID 135023555
tert-butyl-dimethyl-[[(2S,5R)-7-[(2S)-1-tri(propan-2-yl)silyloxypropan-2-yl]-1,6-dioxaspiro[4.5]decan-2-yl]methoxy]silane
CID 135024962
tert-butyl-dimethyl-[[(2S)-7-[(2S)-1-tri(propan-2-yl)silyloxypropan-2-yl]-1,6-dioxaspiro[4.5]decan-2-yl]methoxy]silane
CID 135055285
CID 178184622
CID 178184622
[(4S,6S)-6-[[(4S,6R)-6-[[(4S,6S)-2,2-dimethyl-6-[tri(propan-2-yl)silyloxymethyl]-1,3-dioxan-4-yl]methyl]-2,2-dimethyl-1,3-dioxan-4-yl]methyl]-2,2-dimethyl-1,3-dioxan-4-yl]methoxy-tri(propan-2-yl)silane
CID 90661879
[(4S,6S)-6-[[(6R)-6-[[2,2-dimethyl-6-[tri(propan-2-yl)silyloxymethyl]-1,3-dioxan-4-yl]methyl]-2,2-dimethyl-1,3-dioxan-4-yl]methyl]-2,2-dimethyl-1,3-dioxan-4-yl]methoxy-tri(propan-2-yl)silane
CID 374070
[6-[[6-[[2,2-Dimethyl-6-(triisopropylsilyloxymethyl)-1,3-dioxan-4-yl]methyl]-2,2-dimethyl-1,3-dioxan-4-yl]methyl]-2,2-dimethyl-1,3-dioxan-4-yl]methoxy-triisopropyl-silane
CID 495363

Frequently Asked Questions

What is the IUPAC name of [(4aR,5'R,6R,8R,8aR)-2,2-ditert-butyl-5'-[[tert-butyl(dimethyl)silyl]oxymethyl]spiro[4a,7,8,8a-tetrahydro-4H-pyrano[3,2-d][1,3,2]dioxasiline-6,2'-oxolane]-8-yl]oxy-tri(propan-2-yl)silane?
The IUPAC name of [(4aR,5'R,6R,8R,8aR)-2,2-ditert-butyl-5'-[[tert-butyl(dimethyl)silyl]oxymethyl]spiro[4a,7,8,8a-tetrahydro-4H-pyrano[3,2-d][1,3,2]dioxasiline-6,2'-oxolane]-8-yl]oxy-tri(propan-2-yl)silane (CID 102212917) is [(4aR,5'R,6R,8R,8aR)-2,2-ditert-butyl-5'-[[tert-butyl(dimethyl)silyl]oxymethyl]spiro[4a,7,8,8a-tetrahydro-4H-pyrano[3,2-d][1,3,2]dioxasiline-6,2'-oxolane]-8-yl]oxy-tri(propan-2-yl)silane.
What is the SMILES notation for [(4aR,5'R,6R,8R,8aR)-2,2-ditert-butyl-5'-[[tert-butyl(dimethyl)silyl]oxymethyl]spiro[4a,7,8,8a-tetrahydro-4H-pyrano[3,2-d][1,3,2]dioxasiline-6,2'-oxolane]-8-yl]oxy-tri(propan-2-yl)silane?
The canonical SMILES for [(4aR,5'R,6R,8R,8aR)-2,2-ditert-butyl-5'-[[tert-butyl(dimethyl)silyl]oxymethyl]spiro[4a,7,8,8a-tetrahydro-4H-pyrano[3,2-d][1,3,2]dioxasiline-6,2'-oxolane]-8-yl]oxy-tri(propan-2-yl)silane is CC(C)[Si](O[C@@H]1C[C@@]2(CC[C@H](CO[Si](C)(C)C(C)(C)C)O2)O[C@@H]2CO[Si](C(C)(C)C)(C(C)(C)C)O[C@H]21)(C(C)C)C(C)C.
What is the InChIKey of [(4aR,5'R,6R,8R,8aR)-2,2-ditert-butyl-5'-[[tert-butyl(dimethyl)silyl]oxymethyl]spiro[4a,7,8,8a-tetrahydro-4H-pyrano[3,2-d][1,3,2]dioxasiline-6,2'-oxolane]-8-yl]oxy-tri(propan-2-yl)silane?
The InChIKey is HHJHHSYRNJFVRV-OAXCKUSNSA-N. The full InChI is InChI=1S/C33H68O6Si3/c1-23(2)41(24(3)4,25(5)6)38-27-20-33(19-18-26(36-33)21-34-40(16,17)30(7,8)9)37-28-22-35-42(31(10,11)12,32(13,14)15)39-29(27)28/h23-29H,18-22H2,1-17H3/t26-,27-,28-,29+,33-/m1/s1.
What are the key properties of [(4aR,5'R,6R,8R,8aR)-2,2-ditert-butyl-5'-[[tert-butyl(dimethyl)silyl]oxymethyl]spiro[4a,7,8,8a-tetrahydro-4H-pyrano[3,2-d][1,3,2]dioxasiline-6,2'-oxolane]-8-yl]oxy-tri(propan-2-yl)silane?
[(4aR,5'R,6R,8R,8aR)-2,2-ditert-butyl-5'-[[tert-butyl(dimethyl)silyl]oxymethyl]spiro[4a,7,8,8a-tetrahydro-4H-pyrano[3,2-d][1,3,2]dioxasiline-6,2'-oxolane]-8-yl]oxy-tri(propan-2-yl)silane has a molecular weight of 645.16 g/mol, XLogP of 9.69, 8 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for [(4aR,5'R,6R,8R,8aR)-2,2-ditert-butyl-5'-[[tert-butyl(dimethyl)silyl]oxymethyl]spiro[4a,7,8,8a-tetrahydro-4H-pyrano[3,2-d][1,3,2]dioxasiline-6,2'-oxolane]-8-yl]oxy-tri(propan-2-yl)silane is sourced from PubChem (CID 102212917), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).