(2R)-6-[(1S,3R,5R,6S)-3-[2-[tert-butyl(diphenyl)silyl]oxyethyl]-5-tri(propan-2-yl)silyloxy-2,7-dioxabicyclo[4.1.0]heptan-1-yl]hexan-2-ol

C38H62O5Si2 — CID 134878824

IUPAC(2R)-6-[(1S,3R,5R,6S)-3-[2-[tert-butyl(diphenyl)silyl]oxyethyl]-5-tri(propan-2-yl)silyloxy-2,7-dioxabicyclo[4.1.0]heptan-1-yl]hexan-2-ol
SMILESCC(C)[Si](O[C@@H]1C[C@@H](CCO[Si](c2ccccc2)(c2ccccc2)C(C)(C)C)O[C@@]2(CCCC[C@@H](C)O)O[C@@H]12)(C(C)C)C(C)C
InChIInChI=1S/C38H62O5Si2/c1-28(2)44(29(3)4,30(5)6)43-35-27-32(41-38(36(35)42-38)25-18-17-19-31(7)39)24-26-40-45(37(8,9)10,33-20-13-11-14-21-33)34-22-15-12-16-23-34/h11-16,20-23,28-32,35-36,39H,17-19,24-27H2,1-10H3/t31-,32-,35-,36+,38+/m1/s1
InChIKeyQGHFCOVAZWHHRO-HOSNBFEZSA-N
MW655.08 g/mol
LogP8.34
Rot. Bonds16

About (2R)-6-[(1S,3R,5R,6S)-3-[2-[tert-butyl(diphenyl)silyl]oxyethyl]-5-tri(propan-2-yl)silyloxy-2,7-dioxabicyclo[4.1.0]heptan-1-yl]hexan-2-ol

(2R)-6-[(1S,3R,5R,6S)-3-[2-[tert-butyl(diphenyl)silyl]oxyethyl]-5-tri(propan-2-yl)silyloxy-2,7-dioxabicyclo[4.1.0]heptan-1-yl]hexan-2-ol (PubChem CID 134878824) has the molecular formula C38H62O5Si2 and a molecular weight of 655.08 g/mol. Its IUPAC name is (2R)-6-[(1S,3R,5R,6S)-3-[2-[tert-butyl(diphenyl)silyl]oxyethyl]-5-tri(propan-2-yl)silyloxy-2,7-dioxabicyclo[4.1.0]heptan-1-yl]hexan-2-ol.

Molecular Properties

Compound Name(2R)-6-[(1S,3R,5R,6S)-3-[2-[tert-butyl(diphenyl)silyl]oxyethyl]-5-tri(propan-2-yl)silyloxy-2,7-dioxabicyclo[4.1.0]heptan-1-yl]hexan-2-ol
PubChem CID134878824
Molecular FormulaC38H62O5Si2
Molecular Weight655.08 g/mol
Exact Mass654.41
IUPAC Name(2R)-6-[(1S,3R,5R,6S)-3-[2-[tert-butyl(diphenyl)silyl]oxyethyl]-5-tri(propan-2-yl)silyloxy-2,7-dioxabicyclo[4.1.0]heptan-1-yl]hexan-2-ol
SMILESCC(C)[Si](O[C@@H]1C[C@@H](CCO[Si](c2ccccc2)(c2ccccc2)C(C)(C)C)O[C@@]2(CCCC[C@@H](C)O)O[C@@H]12)(C(C)C)C(C)C
InChIInChI=1S/C38H62O5Si2/c1-28(2)44(29(3)4,30(5)6)43-35-27-32(41-38(36(35)42-38)25-18-17-19-31(7)39)24-26-40-45(37(8,9)10,33-20-13-11-14-21-33)34-22-15-12-16-23-34/h11-16,20-23,28-32,35-36,39H,17-19,24-27H2,1-10H3/t31-,32-,35-,36+,38+/m1/s1
InChIKeyQGHFCOVAZWHHRO-HOSNBFEZSA-N
XLogP8.34
TPSA60.45 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds16
Heavy Atoms45
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500655.08
LogP ≤ 58.34
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'heavy_metal', 'substructure': 'N/A'}, {'alert_name': 'Three-membered_heterocycle', 'substructure': 'N/A'}

Analyze (2R)-6-[(1S,3R,5R,6S)-3-[2-[tert-butyl(diphenyl)silyl]oxyethyl]-5-tri(propan-2-yl)silyloxy-2,7-dioxabicyclo[4.1.0]heptan-1-yl]hexan-2-ol with MolForge

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Related Compounds

(2R)-5-[(1S,3R,5R,6S)-3-[2-[tert-butyl(diphenyl)silyl]oxyethyl]-5-tri(propan-2-yl)silyloxy-2,7-dioxabicyclo[4.1.0]heptan-1-yl]pentan-2-ol
CID 101393370
(2R)-4-[(2S,4S)-2-[2-[tert-butyl(diphenyl)silyl]oxyethyl]-4-tri(propan-2-yl)silyloxy-3,4-dihydro-2H-pyran-6-yl]butan-2-ol
CID 101393356
3-[(2R,3R,4R,6R)-6-[2-[tert-butyl(diphenyl)silyl]oxyethyl]-3-hydroxy-4-tri(propan-2-yl)silyloxyoxan-2-yl]propyl acetate
CID 11388218
(2R,3R,4R,6R)-6-[2-[tert-butyl(diphenyl)silyl]oxyethyl]-2-prop-2-enyl-4-tri(propan-2-yl)silyloxyoxan-3-ol
CID 11180922
(2R,3S,4aR,6S,8S,8aR)-2-[3-[tert-butyl(dimethyl)silyl]oxypropyl]-6-[[tert-butyl(diphenyl)silyl]oxymethyl]-2-methyl-8-tri(propan-2-yl)silyloxy-4,4a,6,7,8,8a-hexahydro-3H-pyrano[3,2-b]pyran-3-ol
CID 10898064
(1R)-1-[(4R,6R)-6-[2-[tert-butyl(dimethyl)silyl]oxyethyl]-2,2-dimethyl-1,3-dioxan-4-yl]-3-[(4R,6S)-6-[2-[tert-butyl(diphenyl)silyl]oxyethyl]-2,2-dimethyl-1,3-dioxan-4-yl]propan-1-ol
CID 11735255
2-[(2R,4S,6R)-6-[2-[tert-butyl(diphenyl)silyl]oxyethyl]-4-tri(propan-2-yl)silyloxyoxan-2-yl]-1-(2,5-dimethylpyrrol-1-yl)ethanone
CID 57343459
(2R)-4-[(4R,6S)-6-[[tert-butyl(diphenyl)silyl]oxymethyl]-2,2-dimethyl-1,3-dioxan-4-yl]-2-methylbutan-1-ol
CID 42600017
tert-butyl-[2-[(4S,6R)-2,2-dimethyl-6-(phenylmethoxymethyl)-1,3-dioxan-4-yl]ethoxy]-diphenylsilane
CID 11214535
tert-butyl-[2-[(4S,6S)-6-ethynyl-2,2-dimethyl-1,3-dioxan-4-yl]ethoxy]-diphenylsilane
CID 10949899
(1R)-5-[tert-butyl(diphenyl)silyl]oxy-1-[(5R)-5-methyl-2H-furan-5-yl]pentan-1-ol
CID 10002494
(2S,4S)-7-[tert-butyl(diphenyl)silyl]oxy-2-methylheptane-1,4-diol
CID 102323148

Frequently Asked Questions

What is the IUPAC name of (2R)-6-[(1S,3R,5R,6S)-3-[2-[tert-butyl(diphenyl)silyl]oxyethyl]-5-tri(propan-2-yl)silyloxy-2,7-dioxabicyclo[4.1.0]heptan-1-yl]hexan-2-ol?
The IUPAC name of (2R)-6-[(1S,3R,5R,6S)-3-[2-[tert-butyl(diphenyl)silyl]oxyethyl]-5-tri(propan-2-yl)silyloxy-2,7-dioxabicyclo[4.1.0]heptan-1-yl]hexan-2-ol (CID 134878824) is (2R)-6-[(1S,3R,5R,6S)-3-[2-[tert-butyl(diphenyl)silyl]oxyethyl]-5-tri(propan-2-yl)silyloxy-2,7-dioxabicyclo[4.1.0]heptan-1-yl]hexan-2-ol.
What is the SMILES notation for (2R)-6-[(1S,3R,5R,6S)-3-[2-[tert-butyl(diphenyl)silyl]oxyethyl]-5-tri(propan-2-yl)silyloxy-2,7-dioxabicyclo[4.1.0]heptan-1-yl]hexan-2-ol?
The canonical SMILES for (2R)-6-[(1S,3R,5R,6S)-3-[2-[tert-butyl(diphenyl)silyl]oxyethyl]-5-tri(propan-2-yl)silyloxy-2,7-dioxabicyclo[4.1.0]heptan-1-yl]hexan-2-ol is CC(C)[Si](O[C@@H]1C[C@@H](CCO[Si](c2ccccc2)(c2ccccc2)C(C)(C)C)O[C@@]2(CCCC[C@@H](C)O)O[C@@H]12)(C(C)C)C(C)C.
What is the InChIKey of (2R)-6-[(1S,3R,5R,6S)-3-[2-[tert-butyl(diphenyl)silyl]oxyethyl]-5-tri(propan-2-yl)silyloxy-2,7-dioxabicyclo[4.1.0]heptan-1-yl]hexan-2-ol?
The InChIKey is QGHFCOVAZWHHRO-HOSNBFEZSA-N. The full InChI is InChI=1S/C38H62O5Si2/c1-28(2)44(29(3)4,30(5)6)43-35-27-32(41-38(36(35)42-38)25-18-17-19-31(7)39)24-26-40-45(37(8,9)10,33-20-13-11-14-21-33)34-22-15-12-16-23-34/h11-16,20-23,28-32,35-36,39H,17-19,24-27H2,1-10H3/t31-,32-,35-,36+,38+/m1/s1.
What are the key properties of (2R)-6-[(1S,3R,5R,6S)-3-[2-[tert-butyl(diphenyl)silyl]oxyethyl]-5-tri(propan-2-yl)silyloxy-2,7-dioxabicyclo[4.1.0]heptan-1-yl]hexan-2-ol?
(2R)-6-[(1S,3R,5R,6S)-3-[2-[tert-butyl(diphenyl)silyl]oxyethyl]-5-tri(propan-2-yl)silyloxy-2,7-dioxabicyclo[4.1.0]heptan-1-yl]hexan-2-ol has a molecular weight of 655.08 g/mol, XLogP of 8.34, 16 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-6-[(1S,3R,5R,6S)-3-[2-[tert-butyl(diphenyl)silyl]oxyethyl]-5-tri(propan-2-yl)silyloxy-2,7-dioxabicyclo[4.1.0]heptan-1-yl]hexan-2-ol is sourced from PubChem (CID 134878824), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).