(3R,6S)-6-[2-[tert-butyl(diphenyl)silyl]oxyethyl]-3,6-dihydro-2H-pyran-3-ol

C23H30O3Si — CID 101438231

IUPAC(3R,6S)-6-[2-[tert-butyl(diphenyl)silyl]oxyethyl]-3,6-dihydro-2H-pyran-3-ol
SMILESCC(C)(C)[Si](OCC[C@H]1C=C[C@@H](O)CO1)(c1ccccc1)c1ccccc1
InChIInChI=1S/C23H30O3Si/c1-23(2,3)27(21-10-6-4-7-11-21,22-12-8-5-9-13-22)26-17-16-20-15-14-19(24)18-25-20/h4-15,19-20,24H,16-18H2,1-3H3/t19-,20-/m1/s1
InChIKeyAODHMTBRNKMCMD-WOJBJXKFSA-N
MW382.58 g/mol
LogP3.27
Rot. Bonds6

About (3R,6S)-6-[2-[tert-butyl(diphenyl)silyl]oxyethyl]-3,6-dihydro-2H-pyran-3-ol

(3R,6S)-6-[2-[tert-butyl(diphenyl)silyl]oxyethyl]-3,6-dihydro-2H-pyran-3-ol (PubChem CID 101438231) has the molecular formula C23H30O3Si and a molecular weight of 382.58 g/mol. Its IUPAC name is (3R,6S)-6-[2-[tert-butyl(diphenyl)silyl]oxyethyl]-3,6-dihydro-2H-pyran-3-ol.

Molecular Properties

Compound Name(3R,6S)-6-[2-[tert-butyl(diphenyl)silyl]oxyethyl]-3,6-dihydro-2H-pyran-3-ol
PubChem CID101438231
Molecular FormulaC23H30O3Si
Molecular Weight382.58 g/mol
Exact Mass382.20
IUPAC Name(3R,6S)-6-[2-[tert-butyl(diphenyl)silyl]oxyethyl]-3,6-dihydro-2H-pyran-3-ol
SMILESCC(C)(C)[Si](OCC[C@H]1C=C[C@@H](O)CO1)(c1ccccc1)c1ccccc1
InChIInChI=1S/C23H30O3Si/c1-23(2,3)27(21-10-6-4-7-11-21,22-12-8-5-9-13-22)26-17-16-20-15-14-19(24)18-25-20/h4-15,19-20,24H,16-18H2,1-3H3/t19-,20-/m1/s1
InChIKeyAODHMTBRNKMCMD-WOJBJXKFSA-N
XLogP3.27
TPSA38.69 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500382.58
LogP ≤ 53.27
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

Analyze (3R,6S)-6-[2-[tert-butyl(diphenyl)silyl]oxyethyl]-3,6-dihydro-2H-pyran-3-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

(3R,4S)-3-[2-[tert-butyl(diphenyl)silyl]oxyethyl]-3,4-dihydro-2H-pyran-4-ol
CID 99865831
(3R,3aR,6S,6aR)-6-[2-[tert-butyl(diphenyl)silyl]oxyethoxy]-2,3,3a,5,6,6a-hexahydrofuro[3,2-b]furan-3-ol
CID 160626165
[[(3S,6S)-6-[2-[tert-butyl(diphenyl)silyl]oxyethyl]-3,6-dihydro-2H-pyran-3-yl]oxycarbonylamino] 2,4,6-trimethylbenzenesulfonate
CID 25139256
(2S,3S,4aR,8aR)-2-[2-[tert-butyl(diphenyl)silyl]oxyethyl]-2,3,4,4a,6,7,8,8a-octahydropyrano[3,2-b]pyran-3-ol
CID 10646782
1-[(2S,3R,4R,5S)-5-[2-[tert-butyl(diphenyl)silyl]oxyethyl]-3,4-dihydroxyoxan-2-yl]propan-2-one
CID 12041081
(5R)-5-[[tert-butyl(diphenyl)silyl]oxymethyl]-1,4-dioxan-2-ol
CID 162409626
3-[tert-butyl(diphenyl)silyl]oxypropan-1-ol;propane-1,3-diol
CID 161331009
[(3S)-3-[3-[tert-butyl(diphenyl)silyl]oxypropyl]oxiran-2-yl]methanol
CID 135021145
12-[tert-butyl(diphenyl)silyl]oxydodecan-1-ol
CID 11015684
tert-butyl-[[(2S,5S)-5-methyl-2,5-dihydrofuran-2-yl]methoxy]-diphenylsilane
CID 46854165
tert-butyl-diphenyl-[2-[(2R,6S)-6-prop-2-enyl-3,6-dihydro-2H-pyran-2-yl]ethoxy]silane
CID 122400498
3-bromopropoxy-tert-butyl-diphenylsilane
CID 11245865

Frequently Asked Questions

What is the IUPAC name of (3R,6S)-6-[2-[tert-butyl(diphenyl)silyl]oxyethyl]-3,6-dihydro-2H-pyran-3-ol?
The IUPAC name of (3R,6S)-6-[2-[tert-butyl(diphenyl)silyl]oxyethyl]-3,6-dihydro-2H-pyran-3-ol (CID 101438231) is (3R,6S)-6-[2-[tert-butyl(diphenyl)silyl]oxyethyl]-3,6-dihydro-2H-pyran-3-ol.
What is the SMILES notation for (3R,6S)-6-[2-[tert-butyl(diphenyl)silyl]oxyethyl]-3,6-dihydro-2H-pyran-3-ol?
The canonical SMILES for (3R,6S)-6-[2-[tert-butyl(diphenyl)silyl]oxyethyl]-3,6-dihydro-2H-pyran-3-ol is CC(C)(C)[Si](OCC[C@H]1C=C[C@@H](O)CO1)(c1ccccc1)c1ccccc1.
What is the InChIKey of (3R,6S)-6-[2-[tert-butyl(diphenyl)silyl]oxyethyl]-3,6-dihydro-2H-pyran-3-ol?
The InChIKey is AODHMTBRNKMCMD-WOJBJXKFSA-N. The full InChI is InChI=1S/C23H30O3Si/c1-23(2,3)27(21-10-6-4-7-11-21,22-12-8-5-9-13-22)26-17-16-20-15-14-19(24)18-25-20/h4-15,19-20,24H,16-18H2,1-3H3/t19-,20-/m1/s1.
What are the key properties of (3R,6S)-6-[2-[tert-butyl(diphenyl)silyl]oxyethyl]-3,6-dihydro-2H-pyran-3-ol?
(3R,6S)-6-[2-[tert-butyl(diphenyl)silyl]oxyethyl]-3,6-dihydro-2H-pyran-3-ol has a molecular weight of 382.58 g/mol, XLogP of 3.27, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (3R,6S)-6-[2-[tert-butyl(diphenyl)silyl]oxyethyl]-3,6-dihydro-2H-pyran-3-ol is sourced from PubChem (CID 101438231), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).