(R)-[(3aS,4R,6R,6aR)-6-[[tert-butyl(dimethyl)silyl]oxymethyl]-2,2-dimethyl-3a,4,6,6a-tetrahydrofuro[3,4-d][1,3]dioxol-4-yl]-(4-methoxyphenyl)methanol

C22H36O6Si — CID 102467595

IUPAC(R)-[(3aS,4R,6R,6aR)-6-[[tert-butyl(dimethyl)silyl]oxymethyl]-2,2-dimethyl-3a,4,6,6a-tetrahydrofuro[3,4-d][1,3]dioxol-4-yl]-(4-methoxyphenyl)methanol
SMILESCOc1ccc([C@@H](O)[C@H]2O[C@H](CO[Si](C)(C)C(C)(C)C)[C@H]3OC(C)(C)O[C@@H]23)cc1
InChIInChI=1S/C22H36O6Si/c1-21(2,3)29(7,8)25-13-16-18-20(28-22(4,5)27-18)19(26-16)17(23)14-9-11-15(24-6)12-10-14/h9-12,16-20,23H,13H2,1-8H3/t16-,17-,18-,19-,20-/m1/s1
InChIKeyYELGBKGDUSUXDS-LASHMREHSA-N
MW424.61 g/mol
LogP4.04
Rot. Bonds6

About (R)-[(3aS,4R,6R,6aR)-6-[[tert-butyl(dimethyl)silyl]oxymethyl]-2,2-dimethyl-3a,4,6,6a-tetrahydrofuro[3,4-d][1,3]dioxol-4-yl]-(4-methoxyphenyl)methanol

(R)-[(3aS,4R,6R,6aR)-6-[[tert-butyl(dimethyl)silyl]oxymethyl]-2,2-dimethyl-3a,4,6,6a-tetrahydrofuro[3,4-d][1,3]dioxol-4-yl]-(4-methoxyphenyl)methanol (PubChem CID 102467595) has the molecular formula C22H36O6Si and a molecular weight of 424.61 g/mol. Its IUPAC name is (R)-[(3aS,4R,6R,6aR)-6-[[tert-butyl(dimethyl)silyl]oxymethyl]-2,2-dimethyl-3a,4,6,6a-tetrahydrofuro[3,4-d][1,3]dioxol-4-yl]-(4-methoxyphenyl)methanol.

Molecular Properties

Compound Name(R)-[(3aS,4R,6R,6aR)-6-[[tert-butyl(dimethyl)silyl]oxymethyl]-2,2-dimethyl-3a,4,6,6a-tetrahydrofuro[3,4-d][1,3]dioxol-4-yl]-(4-methoxyphenyl)methanol
PubChem CID102467595
Molecular FormulaC22H36O6Si
Molecular Weight424.61 g/mol
Exact Mass424.23
IUPAC Name(R)-[(3aS,4R,6R,6aR)-6-[[tert-butyl(dimethyl)silyl]oxymethyl]-2,2-dimethyl-3a,4,6,6a-tetrahydrofuro[3,4-d][1,3]dioxol-4-yl]-(4-methoxyphenyl)methanol
SMILESCOc1ccc([C@@H](O)[C@H]2O[C@H](CO[Si](C)(C)C(C)(C)C)[C@H]3OC(C)(C)O[C@@H]23)cc1
InChIInChI=1S/C22H36O6Si/c1-21(2,3)29(7,8)25-13-16-18-20(28-22(4,5)27-18)19(26-16)17(23)14-9-11-15(24-6)12-10-14/h9-12,16-20,23H,13H2,1-8H3/t16-,17-,18-,19-,20-/m1/s1
InChIKeyYELGBKGDUSUXDS-LASHMREHSA-N
XLogP4.04
TPSA66.38 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500424.61
LogP ≤ 54.04
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

Analyze (R)-[(3aS,4R,6R,6aR)-6-[[tert-butyl(dimethyl)silyl]oxymethyl]-2,2-dimethyl-3a,4,6,6a-tetrahydrofuro[3,4-d][1,3]dioxol-4-yl]-(4-methoxyphenyl)methanol 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

(1R)-2-[tert-butyl(dimethyl)silyl]oxy-1-[(4R,5S)-5-[hydroxy-(4-methoxyphenyl)methyl]-2,2-dimethyl-1,3-dioxolan-4-yl]ethanol
CID 11774280
(S)-[(4S,5R)-5-[[tert-butyl(dimethyl)silyl]oxymethyl]-2,2-dimethyl-1,3-dioxolan-4-yl]-phenylmethanol
CID 101493912
(3aS,4R,6R)-6-[[tert-butyl(dimethyl)silyl]oxymethyl]-2,2-dimethyl-3a,4,6,6a-tetrahydrofuro[3,4-d][1,3]dioxol-4-ol
CID 71314364
[(3aR,4S,6R,6aR)-4-fluoro-2,2-dimethyl-3a,4,6,6a-tetrahydrofuro[3,4-d][1,3]dioxol-6-yl]methoxy-tert-butyl-dimethylsilane
CID 23237913
methyl 2-[(3aR,4R,6S,6aS)-4-[[tert-butyl(dimethyl)silyl]oxymethyl]-2,2-dimethyl-3a,4,6,6a-tetrahydrofuro[3,4-d][1,3]dioxol-6-yl]acetate
CID 56648197
(3aS,4S,6R,6aS)-6-[[tert-butyl(dimethyl)silyl]oxymethyl]-2,2-dimethyl-3a,4,6,6a-tetrahydrofuro[3,4-d][1,3]dioxole-4-carbaldehyde
CID 134922821
(3aR,4R,7R,7aR)-4-[[tert-butyl(dimethyl)silyl]oxymethyl]-7-iodo-2,2-dimethyl-4,6,7,7a-tetrahydro-3aH-[1,3]dioxolo[4,5-c]pyran-6-ol
CID 23659967
[(2R,3S)-3-[(4R,5S)-5-[[tert-butyl(dimethyl)silyl]oxymethyl]-2,2-dimethyl-1,3-dioxolan-4-yl]oxiran-2-yl]methanol
CID 10853033
(1S)-1-[1-[(3aR,4R,6R,6aR)-6-[[tert-butyl(dimethyl)silyl]oxymethyl]-2,2-dimethyl-3a,4,6,6a-tetrahydrofuro[3,4-d][1,3]dioxol-4-yl]-4-aminopyrazolo[3,4-d]pyrimidin-3-yl]ethanol
CID 152529185
1-[3-[(3aS,4S,6R,6aR)-6-[[tert-butyl(dimethyl)silyl]oxymethyl]-2,2-dimethyl-3a,4,6,6a-tetrahydrofuro[3,4-d][1,3]dioxol-4-yl]-6-methoxy-2-pyridinyl]hexan-2-imine
CID 54051484
N-[(3aR,4R,6R,6aR)-6-[[tert-butyl(dimethyl)silyl]oxymethyl]-2,2-dimethyl-3a,4,6,6a-tetrahydrofuro[3,4-d][1,3]dioxol-4-yl]formamide
CID 10958508
(1S,2S)-1-[(4S,5S)-5-[[tert-butyl(dimethyl)silyl]oxymethyl]-2,2-dimethyl-1,3-dioxolan-4-yl]-1-methoxy-4-methylpentan-2-ol
CID 160974540

Frequently Asked Questions

What is the IUPAC name of (R)-[(3aS,4R,6R,6aR)-6-[[tert-butyl(dimethyl)silyl]oxymethyl]-2,2-dimethyl-3a,4,6,6a-tetrahydrofuro[3,4-d][1,3]dioxol-4-yl]-(4-methoxyphenyl)methanol?
The IUPAC name of (R)-[(3aS,4R,6R,6aR)-6-[[tert-butyl(dimethyl)silyl]oxymethyl]-2,2-dimethyl-3a,4,6,6a-tetrahydrofuro[3,4-d][1,3]dioxol-4-yl]-(4-methoxyphenyl)methanol (CID 102467595) is (R)-[(3aS,4R,6R,6aR)-6-[[tert-butyl(dimethyl)silyl]oxymethyl]-2,2-dimethyl-3a,4,6,6a-tetrahydrofuro[3,4-d][1,3]dioxol-4-yl]-(4-methoxyphenyl)methanol.
What is the SMILES notation for (R)-[(3aS,4R,6R,6aR)-6-[[tert-butyl(dimethyl)silyl]oxymethyl]-2,2-dimethyl-3a,4,6,6a-tetrahydrofuro[3,4-d][1,3]dioxol-4-yl]-(4-methoxyphenyl)methanol?
The canonical SMILES for (R)-[(3aS,4R,6R,6aR)-6-[[tert-butyl(dimethyl)silyl]oxymethyl]-2,2-dimethyl-3a,4,6,6a-tetrahydrofuro[3,4-d][1,3]dioxol-4-yl]-(4-methoxyphenyl)methanol is COc1ccc([C@@H](O)[C@H]2O[C@H](CO[Si](C)(C)C(C)(C)C)[C@H]3OC(C)(C)O[C@@H]23)cc1.
What is the InChIKey of (R)-[(3aS,4R,6R,6aR)-6-[[tert-butyl(dimethyl)silyl]oxymethyl]-2,2-dimethyl-3a,4,6,6a-tetrahydrofuro[3,4-d][1,3]dioxol-4-yl]-(4-methoxyphenyl)methanol?
The InChIKey is YELGBKGDUSUXDS-LASHMREHSA-N. The full InChI is InChI=1S/C22H36O6Si/c1-21(2,3)29(7,8)25-13-16-18-20(28-22(4,5)27-18)19(26-16)17(23)14-9-11-15(24-6)12-10-14/h9-12,16-20,23H,13H2,1-8H3/t16-,17-,18-,19-,20-/m1/s1.
What are the key properties of (R)-[(3aS,4R,6R,6aR)-6-[[tert-butyl(dimethyl)silyl]oxymethyl]-2,2-dimethyl-3a,4,6,6a-tetrahydrofuro[3,4-d][1,3]dioxol-4-yl]-(4-methoxyphenyl)methanol?
(R)-[(3aS,4R,6R,6aR)-6-[[tert-butyl(dimethyl)silyl]oxymethyl]-2,2-dimethyl-3a,4,6,6a-tetrahydrofuro[3,4-d][1,3]dioxol-4-yl]-(4-methoxyphenyl)methanol has a molecular weight of 424.61 g/mol, XLogP of 4.04, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for (R)-[(3aS,4R,6R,6aR)-6-[[tert-butyl(dimethyl)silyl]oxymethyl]-2,2-dimethyl-3a,4,6,6a-tetrahydrofuro[3,4-d][1,3]dioxol-4-yl]-(4-methoxyphenyl)methanol is sourced from PubChem (CID 102467595), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).