(1R)-1-[(3aS,4S,6R,7R,7aS)-4-methoxy-2,2-dimethyl-7-phenylmethoxy-4,6,7,7a-tetrahydro-3aH-[1,3]dioxolo[4,5-c]pyran-6-yl]-2-[dimethyl(phenyl)silyl]ethanol

C26H36O6Si — CID 101117871

IUPAC(1R)-1-[(3aS,4S,6R,7R,7aS)-4-methoxy-2,2-dimethyl-7-phenylmethoxy-4,6,7,7a-tetrahydro-3aH-[1,3]dioxolo[4,5-c]pyran-6-yl]-2-[dimethyl(phenyl)silyl]ethanol
SMILESCO[C@H]1O[C@H]([C@@H](O)C[Si](C)(C)c2ccccc2)[C@@H](OCc2ccccc2)[C@@H]2OC(C)(C)O[C@H]12
InChIInChI=1S/C26H36O6Si/c1-26(2)31-23-22(29-16-18-12-8-6-9-13-18)21(30-25(28-3)24(23)32-26)20(27)17-33(4,5)19-14-10-7-11-15-19/h6-15,20-25,27H,16-17H2,1-5H3/t20-,21+,22+,23-,24-,25-/m0/s1
InChIKeyGLLUHGHYHGPGJZ-AIOSZGMZSA-N
MW472.65 g/mol
LogP3.44
Rot. Bonds8

About (1R)-1-[(3aS,4S,6R,7R,7aS)-4-methoxy-2,2-dimethyl-7-phenylmethoxy-4,6,7,7a-tetrahydro-3aH-[1,3]dioxolo[4,5-c]pyran-6-yl]-2-[dimethyl(phenyl)silyl]ethanol

(1R)-1-[(3aS,4S,6R,7R,7aS)-4-methoxy-2,2-dimethyl-7-phenylmethoxy-4,6,7,7a-tetrahydro-3aH-[1,3]dioxolo[4,5-c]pyran-6-yl]-2-[dimethyl(phenyl)silyl]ethanol (PubChem CID 101117871) has the molecular formula C26H36O6Si and a molecular weight of 472.65 g/mol. Its IUPAC name is (1R)-1-[(3aS,4S,6R,7R,7aS)-4-methoxy-2,2-dimethyl-7-phenylmethoxy-4,6,7,7a-tetrahydro-3aH-[1,3]dioxolo[4,5-c]pyran-6-yl]-2-[dimethyl(phenyl)silyl]ethanol.

Molecular Properties

Compound Name(1R)-1-[(3aS,4S,6R,7R,7aS)-4-methoxy-2,2-dimethyl-7-phenylmethoxy-4,6,7,7a-tetrahydro-3aH-[1,3]dioxolo[4,5-c]pyran-6-yl]-2-[dimethyl(phenyl)silyl]ethanol
PubChem CID101117871
Molecular FormulaC26H36O6Si
Molecular Weight472.65 g/mol
Exact Mass472.23
IUPAC Name(1R)-1-[(3aS,4S,6R,7R,7aS)-4-methoxy-2,2-dimethyl-7-phenylmethoxy-4,6,7,7a-tetrahydro-3aH-[1,3]dioxolo[4,5-c]pyran-6-yl]-2-[dimethyl(phenyl)silyl]ethanol
SMILESCO[C@H]1O[C@H]([C@@H](O)C[Si](C)(C)c2ccccc2)[C@@H](OCc2ccccc2)[C@@H]2OC(C)(C)O[C@H]12
InChIInChI=1S/C26H36O6Si/c1-26(2)31-23-22(29-16-18-12-8-6-9-13-18)21(30-25(28-3)24(23)32-26)20(27)17-33(4,5)19-14-10-7-11-15-19/h6-15,20-25,27H,16-17H2,1-5H3/t20-,21+,22+,23-,24-,25-/m0/s1
InChIKeyGLLUHGHYHGPGJZ-AIOSZGMZSA-N
XLogP3.44
TPSA66.38 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds8
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500472.65
LogP ≤ 53.44
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

Analyze (1R)-1-[(3aS,4S,6R,7R,7aS)-4-methoxy-2,2-dimethyl-7-phenylmethoxy-4,6,7,7a-tetrahydro-3aH-[1,3]dioxolo[4,5-c]pyran-6-yl]-2-[dimethyl(phenyl)silyl]ethanol with MolForge

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Related Compounds

(1R)-1-[(3aR,5R)-2,2-dimethyl-6-phenylmethoxy-3a,5,6,6a-tetrahydrofuro[2,3-d][1,3]dioxol-5-yl]-2-[dimethyl(phenyl)silyl]ethanol
CID 164671259
(1R)-1-[(3aR,4R,6R,6aR)-4-methoxy-2,2-dimethyl-3a,4,6,6a-tetrahydrofuro[3,4-d][1,3]dioxol-6-yl]-2-phenylmethoxyethanol
CID 100964347
(1R,2S,3R)-1-[(3aR,5R,6S,6aR)-2,2-dimethyl-6-phenylmethoxy-3a,5,6,6a-tetrahydrofuro[2,3-d][1,3]dioxol-5-yl]-3-[(2R,3S,4S,5R,6S)-6-methoxy-3,4,5-tris(phenylmethoxy)oxan-2-yl]propane-1,2,3-triol
CID 134931111
(1S)-1-[(3aR,5R,6R,6aR)-2,2-dimethyl-6-phenylmethoxy-3a,5,6,6a-tetrahydrofuro[2,3-d][1,3]dioxol-5-yl]-2-phenylmethoxyethanol
CID 101047701
(3aR,4R,5R,6S,7R,7aR)-2,2-dimethyl-4,7-bis(phenylmethoxy)-3a,4,5,6,7,7a-hexahydro-1,3-benzodioxole-5,6-diol
CID 10715972
(3aR,4S,6R,7S,7aR)-6-methoxy-2,2,4-trimethyl-7-phenylmethoxy-4,6,7,7a-tetrahydro-3aH-[1,3]dioxolo[4,5-c]pyran
CID 14653888
(1S)-1-[(4S,6R)-2,2-dimethyl-4-phenylmethoxy-3a,4,6,6a-tetrahydrofuro[3,4-d][1,3]dioxol-6-yl]ethanol
CID 177392606
(2R)-2-[(3aS,4S,6R,6aS)-4-methoxy-2,2-dimethyl-3a,4,6,6a-tetrahydrofuro[3,4-d][1,3]dioxol-6-yl]-2-phenylmethoxyethanol
CID 10892681
1-[5-methoxy-3,4-bis(phenylmethoxy)oxolan-2-yl]ethane-1,2-diol
CID 563648
(1R)-1-[(2S,3S,4R,5R)-5-methoxy-3,4-bis(phenylmethoxy)oxolan-2-yl]ethane-1,2-diol
CID 22215147
(1S)-1-[(3aR,5R,6R,6aS)-2,2-dimethyl-6-phenylmethoxy-3a,5,6,6a-tetrahydrofuro[2,3-d][1,3]dioxol-5-yl]ethanol
CID 159325114
(3aR,4R,6S,7S,7aR)-4-methoxy-2,2,6-trimethyl-7-[(2R,3R,4R,5R,6R)-3,4,5-tris(phenylmethoxy)-6-(trifluoromethyl)oxan-2-yl]oxy-4,6,7,7a-tetrahydro-3aH-[1,3]dioxolo[4,5-c]pyran
CID 101433851

Frequently Asked Questions

What is the IUPAC name of (1R)-1-[(3aS,4S,6R,7R,7aS)-4-methoxy-2,2-dimethyl-7-phenylmethoxy-4,6,7,7a-tetrahydro-3aH-[1,3]dioxolo[4,5-c]pyran-6-yl]-2-[dimethyl(phenyl)silyl]ethanol?
The IUPAC name of (1R)-1-[(3aS,4S,6R,7R,7aS)-4-methoxy-2,2-dimethyl-7-phenylmethoxy-4,6,7,7a-tetrahydro-3aH-[1,3]dioxolo[4,5-c]pyran-6-yl]-2-[dimethyl(phenyl)silyl]ethanol (CID 101117871) is (1R)-1-[(3aS,4S,6R,7R,7aS)-4-methoxy-2,2-dimethyl-7-phenylmethoxy-4,6,7,7a-tetrahydro-3aH-[1,3]dioxolo[4,5-c]pyran-6-yl]-2-[dimethyl(phenyl)silyl]ethanol.
What is the SMILES notation for (1R)-1-[(3aS,4S,6R,7R,7aS)-4-methoxy-2,2-dimethyl-7-phenylmethoxy-4,6,7,7a-tetrahydro-3aH-[1,3]dioxolo[4,5-c]pyran-6-yl]-2-[dimethyl(phenyl)silyl]ethanol?
The canonical SMILES for (1R)-1-[(3aS,4S,6R,7R,7aS)-4-methoxy-2,2-dimethyl-7-phenylmethoxy-4,6,7,7a-tetrahydro-3aH-[1,3]dioxolo[4,5-c]pyran-6-yl]-2-[dimethyl(phenyl)silyl]ethanol is CO[C@H]1O[C@H]([C@@H](O)C[Si](C)(C)c2ccccc2)[C@@H](OCc2ccccc2)[C@@H]2OC(C)(C)O[C@H]12.
What is the InChIKey of (1R)-1-[(3aS,4S,6R,7R,7aS)-4-methoxy-2,2-dimethyl-7-phenylmethoxy-4,6,7,7a-tetrahydro-3aH-[1,3]dioxolo[4,5-c]pyran-6-yl]-2-[dimethyl(phenyl)silyl]ethanol?
The InChIKey is GLLUHGHYHGPGJZ-AIOSZGMZSA-N. The full InChI is InChI=1S/C26H36O6Si/c1-26(2)31-23-22(29-16-18-12-8-6-9-13-18)21(30-25(28-3)24(23)32-26)20(27)17-33(4,5)19-14-10-7-11-15-19/h6-15,20-25,27H,16-17H2,1-5H3/t20-,21+,22+,23-,24-,25-/m0/s1.
What are the key properties of (1R)-1-[(3aS,4S,6R,7R,7aS)-4-methoxy-2,2-dimethyl-7-phenylmethoxy-4,6,7,7a-tetrahydro-3aH-[1,3]dioxolo[4,5-c]pyran-6-yl]-2-[dimethyl(phenyl)silyl]ethanol?
(1R)-1-[(3aS,4S,6R,7R,7aS)-4-methoxy-2,2-dimethyl-7-phenylmethoxy-4,6,7,7a-tetrahydro-3aH-[1,3]dioxolo[4,5-c]pyran-6-yl]-2-[dimethyl(phenyl)silyl]ethanol has a molecular weight of 472.65 g/mol, XLogP of 3.44, 8 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for (1R)-1-[(3aS,4S,6R,7R,7aS)-4-methoxy-2,2-dimethyl-7-phenylmethoxy-4,6,7,7a-tetrahydro-3aH-[1,3]dioxolo[4,5-c]pyran-6-yl]-2-[dimethyl(phenyl)silyl]ethanol is sourced from PubChem (CID 101117871), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).