2-[(4aR,6R,8aS)-2,2-ditert-butyl-4,4a,6,7,8,8a-hexahydropyrano[3,2-d][1,3,2]dioxasilin-6-yl]ethanol

C16H32O4Si — CID 56593726

IUPAC2-[(4aR,6R,8aS)-2,2-ditert-butyl-4,4a,6,7,8,8a-hexahydropyrano[3,2-d][1,3,2]dioxasilin-6-yl]ethanol
SMILESCC(C)(C)[Si]1(C(C)(C)C)OC[C@H]2O[C@@H](CCO)CC[C@@H]2O1
InChIInChI=1S/C16H32O4Si/c1-15(2,3)21(16(4,5)6)18-11-14-13(20-21)8-7-12(19-14)9-10-17/h12-14,17H,7-11H2,1-6H3/t12-,13+,14-/m1/s1
InChIKeyHBIRUQCTLWNPOC-HZSPNIEDSA-N
MW316.51 g/mol
LogP3.37
Rot. Bonds2

About 2-[(4aR,6R,8aS)-2,2-ditert-butyl-4,4a,6,7,8,8a-hexahydropyrano[3,2-d][1,3,2]dioxasilin-6-yl]ethanol

2-[(4aR,6R,8aS)-2,2-ditert-butyl-4,4a,6,7,8,8a-hexahydropyrano[3,2-d][1,3,2]dioxasilin-6-yl]ethanol (PubChem CID 56593726) has the molecular formula C16H32O4Si and a molecular weight of 316.51 g/mol. Its IUPAC name is 2-[(4aR,6R,8aS)-2,2-ditert-butyl-4,4a,6,7,8,8a-hexahydropyrano[3,2-d][1,3,2]dioxasilin-6-yl]ethanol.

Molecular Properties

Compound Name2-[(4aR,6R,8aS)-2,2-ditert-butyl-4,4a,6,7,8,8a-hexahydropyrano[3,2-d][1,3,2]dioxasilin-6-yl]ethanol
PubChem CID56593726
Molecular FormulaC16H32O4Si
Molecular Weight316.51 g/mol
Exact Mass316.21
IUPAC Name2-[(4aR,6R,8aS)-2,2-ditert-butyl-4,4a,6,7,8,8a-hexahydropyrano[3,2-d][1,3,2]dioxasilin-6-yl]ethanol
SMILESCC(C)(C)[Si]1(C(C)(C)C)OC[C@H]2O[C@@H](CCO)CC[C@@H]2O1
InChIInChI=1S/C16H32O4Si/c1-15(2,3)21(16(4,5)6)18-11-14-13(20-21)8-7-12(19-14)9-10-17/h12-14,17H,7-11H2,1-6H3/t12-,13+,14-/m1/s1
InChIKeyHBIRUQCTLWNPOC-HZSPNIEDSA-N
XLogP3.37
TPSA47.92 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500316.51
LogP ≤ 53.37
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

Analyze 2-[(4aR,6R,8aS)-2,2-ditert-butyl-4,4a,6,7,8,8a-hexahydropyrano[3,2-d][1,3,2]dioxasilin-6-yl]ethanol with MolForge

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Related Compounds

(1S)-1-[(2R,5R,6R)-5-[tert-butyl(dimethyl)silyl]oxy-6-dodecyloxan-2-yl]ethane-1,2-diol
CID 134940964
Zsuomluonmonaj-hddxrbdosa-
CID 23243307
(4aR,6S,7S,8aR)-2,2-ditert-butyl-6-[(2S)-4-hydroxybutan-2-yl]-4,4a,6,7,8,8a-hexahydropyrano[3,2-d][1,3,2]dioxasilin-7-ol
CID 158777006
(4aR,6S,7S,8aR)-2,2-ditert-butyl-6-[(2R)-1-hydroxypropan-2-yl]-4,4a,6,7,8,8a-hexahydropyrano[3,2-d][1,3,2]dioxasilin-7-ol
CID 158901547
(3S)-3-[(6S,7S,8aR)-2,2-ditert-butyl-7-methoxy-4,4a,6,7,8,8a-hexahydropyrano[3,2-d][1,3,2]dioxasilin-6-yl]butan-1-ol
CID 159648775
(2R)-2-[(4aR,6S,7S,8aR)-2,2-ditert-butyl-7-triethylsilyloxy-4,4a,6,7,8,8a-hexahydropyrano[3,2-d][1,3,2]dioxasilin-6-yl]propan-1-ol
CID 162456871
(2S,3R,4aS,6R,7S,8aR)-6-(hydroxymethyl)-3-tri(propan-2-yl)silyloxy-2-[2-tri(propan-2-yl)silyloxyethyl]-2,3,4,4a,6,7,8,8a-octahydropyrano[3,2-b]pyran-7-ol
CID 11272979
(1R,3S,5R,8R,10S)-6-methyl-6-trimethylsilyl-2,7,11-trioxatricyclo[8.4.0.03,8]tetradecan-5-ol
CID 11358509
(4aR,6S,7R,8aS)-2,2-ditert-butyl-6-(2-hydroxyethyl)-4,4a,6,7,8,8a-hexahydropyrano[3,2-d][1,3,2]dioxasilin-7-ol
CID 11416317
(4aR,6S,7R,8aS)-2,2-ditert-butyl-6-(2-hydroxyethyl)-4a,6-dimethyl-4,7,8,8a-tetrahydropyrano[3,2-d][1,3,2]dioxasilin-7-ol
CID 11473896
[(2R,4S,6R)-4-[tert-butyl(dimethyl)silyl]oxy-6-undecyloxan-2-yl]methanol
CID 11639954
(4aR,6S,7R,8aS)-2,2-ditert-butyl-6-(hydroxymethyl)-4,4a,6,7,8,8a-hexahydropyrano[3,2-d][1,3,2]dioxasilin-7-ol
CID 11834131

Frequently Asked Questions

What is the IUPAC name of 2-[(4aR,6R,8aS)-2,2-ditert-butyl-4,4a,6,7,8,8a-hexahydropyrano[3,2-d][1,3,2]dioxasilin-6-yl]ethanol?
The IUPAC name of 2-[(4aR,6R,8aS)-2,2-ditert-butyl-4,4a,6,7,8,8a-hexahydropyrano[3,2-d][1,3,2]dioxasilin-6-yl]ethanol (CID 56593726) is 2-[(4aR,6R,8aS)-2,2-ditert-butyl-4,4a,6,7,8,8a-hexahydropyrano[3,2-d][1,3,2]dioxasilin-6-yl]ethanol.
What is the SMILES notation for 2-[(4aR,6R,8aS)-2,2-ditert-butyl-4,4a,6,7,8,8a-hexahydropyrano[3,2-d][1,3,2]dioxasilin-6-yl]ethanol?
The canonical SMILES for 2-[(4aR,6R,8aS)-2,2-ditert-butyl-4,4a,6,7,8,8a-hexahydropyrano[3,2-d][1,3,2]dioxasilin-6-yl]ethanol is CC(C)(C)[Si]1(C(C)(C)C)OC[C@H]2O[C@@H](CCO)CC[C@@H]2O1.
What is the InChIKey of 2-[(4aR,6R,8aS)-2,2-ditert-butyl-4,4a,6,7,8,8a-hexahydropyrano[3,2-d][1,3,2]dioxasilin-6-yl]ethanol?
The InChIKey is HBIRUQCTLWNPOC-HZSPNIEDSA-N. The full InChI is InChI=1S/C16H32O4Si/c1-15(2,3)21(16(4,5)6)18-11-14-13(20-21)8-7-12(19-14)9-10-17/h12-14,17H,7-11H2,1-6H3/t12-,13+,14-/m1/s1.
What are the key properties of 2-[(4aR,6R,8aS)-2,2-ditert-butyl-4,4a,6,7,8,8a-hexahydropyrano[3,2-d][1,3,2]dioxasilin-6-yl]ethanol?
2-[(4aR,6R,8aS)-2,2-ditert-butyl-4,4a,6,7,8,8a-hexahydropyrano[3,2-d][1,3,2]dioxasilin-6-yl]ethanol has a molecular weight of 316.51 g/mol, XLogP of 3.37, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(4aR,6R,8aS)-2,2-ditert-butyl-4,4a,6,7,8,8a-hexahydropyrano[3,2-d][1,3,2]dioxasilin-6-yl]ethanol is sourced from PubChem (CID 56593726), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).