(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

C37H60O5Si2 — CID 101393370

IUPAC(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
SMILESCC(C)[Si](O[C@@H]1C[C@@H](CCO[Si](c2ccccc2)(c2ccccc2)C(C)(C)C)O[C@@]2(CCC[C@@H](C)O)O[C@@H]12)(C(C)C)C(C)C
InChIInChI=1S/C37H60O5Si2/c1-27(2)43(28(3)4,29(5)6)42-34-26-31(40-37(35(34)41-37)24-17-18-30(7)38)23-25-39-44(36(8,9)10,32-19-13-11-14-20-32)33-21-15-12-16-22-33/h11-16,19-22,27-31,34-35,38H,17-18,23-26H2,1-10H3/t30-,31-,34-,35+,37+/m1/s1
InChIKeyVSWKWJYACPTSJW-PZMTVURASA-N
MW641.05 g/mol
LogP7.95
Rot. Bonds15

About (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

(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 (PubChem CID 101393370) has the molecular formula C37H60O5Si2 and a molecular weight of 641.05 g/mol. Its IUPAC name is (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.

Molecular Properties

Compound Name(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
PubChem CID101393370
Molecular FormulaC37H60O5Si2
Molecular Weight641.05 g/mol
Exact Mass640.40
IUPAC Name(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
SMILESCC(C)[Si](O[C@@H]1C[C@@H](CCO[Si](c2ccccc2)(c2ccccc2)C(C)(C)C)O[C@@]2(CCC[C@@H](C)O)O[C@@H]12)(C(C)C)C(C)C
InChIInChI=1S/C37H60O5Si2/c1-27(2)43(28(3)4,29(5)6)42-34-26-31(40-37(35(34)41-37)24-17-18-30(7)38)23-25-39-44(36(8,9)10,32-19-13-11-14-20-32)33-21-15-12-16-22-33/h11-16,19-22,27-31,34-35,38H,17-18,23-26H2,1-10H3/t30-,31-,34-,35+,37+/m1/s1
InChIKeyVSWKWJYACPTSJW-PZMTVURASA-N
XLogP7.95
TPSA60.45 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds15
Heavy Atoms44
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500641.05
LogP ≤ 57.95
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

Analyze (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 with MolForge

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

Launch Full Analysis

Related Compounds

(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
(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
(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
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,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
tert-butyl-[2-[(4S,6R)-2,2-dimethyl-6-(phenylmethoxymethyl)-1,3-dioxan-4-yl]ethoxy]-diphenylsilane
CID 11214535
(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,6S)-6-ethynyl-2,2-dimethyl-1,3-dioxan-4-yl]ethoxy]-diphenylsilane
CID 10949899
(2S)-4-[tert-butyl(diphenyl)silyl]oxy-1-[(2S)-2-methyloxiran-2-yl]butan-2-ol
CID 11090300
(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)-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?
The IUPAC name of (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) is (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.
What is the SMILES notation for (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?
The canonical SMILES for (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 is CC(C)[Si](O[C@@H]1C[C@@H](CCO[Si](c2ccccc2)(c2ccccc2)C(C)(C)C)O[C@@]2(CCC[C@@H](C)O)O[C@@H]12)(C(C)C)C(C)C.
What is the InChIKey of (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?
The InChIKey is VSWKWJYACPTSJW-PZMTVURASA-N. The full InChI is InChI=1S/C37H60O5Si2/c1-27(2)43(28(3)4,29(5)6)42-34-26-31(40-37(35(34)41-37)24-17-18-30(7)38)23-25-39-44(36(8,9)10,32-19-13-11-14-20-32)33-21-15-12-16-22-33/h11-16,19-22,27-31,34-35,38H,17-18,23-26H2,1-10H3/t30-,31-,34-,35+,37+/m1/s1.
What are the key properties of (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?
(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 has a molecular weight of 641.05 g/mol, XLogP of 7.95, 15 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (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 is sourced from PubChem (CID 101393370), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).