(3R,4S)-3-[2-[tert-butyl(diphenyl)silyl]oxyethyl]-3,4-dihydro-2H-pyran-4-ol

C23H30O3Si — CID 99865831

IUPAC(3R,4S)-3-[2-[tert-butyl(diphenyl)silyl]oxyethyl]-3,4-dihydro-2H-pyran-4-ol
SMILESCC(C)(C)[Si](OCC[C@@H]1COC=C[C@H]1O)(c1ccccc1)c1ccccc1
InChIInChI=1S/C23H30O3Si/c1-23(2,3)27(20-10-6-4-7-11-20,21-12-8-5-9-13-21)26-17-14-19-18-25-16-15-22(19)24/h4-13,15-16,19,22,24H,14,17-18H2,1-3H3/t19-,22-/m1/s1
InChIKeyLZDWRJRTXSUEKQ-DENIHFKCSA-N
MW382.58 g/mol
LogP3.47
Rot. Bonds6

About (3R,4S)-3-[2-[tert-butyl(diphenyl)silyl]oxyethyl]-3,4-dihydro-2H-pyran-4-ol

(3R,4S)-3-[2-[tert-butyl(diphenyl)silyl]oxyethyl]-3,4-dihydro-2H-pyran-4-ol (PubChem CID 99865831) has the molecular formula C23H30O3Si and a molecular weight of 382.58 g/mol. Its IUPAC name is (3R,4S)-3-[2-[tert-butyl(diphenyl)silyl]oxyethyl]-3,4-dihydro-2H-pyran-4-ol.

Molecular Properties

Compound Name(3R,4S)-3-[2-[tert-butyl(diphenyl)silyl]oxyethyl]-3,4-dihydro-2H-pyran-4-ol
PubChem CID99865831
Molecular FormulaC23H30O3Si
Molecular Weight382.58 g/mol
Exact Mass382.20
IUPAC Name(3R,4S)-3-[2-[tert-butyl(diphenyl)silyl]oxyethyl]-3,4-dihydro-2H-pyran-4-ol
SMILESCC(C)(C)[Si](OCC[C@@H]1COC=C[C@H]1O)(c1ccccc1)c1ccccc1
InChIInChI=1S/C23H30O3Si/c1-23(2,3)27(20-10-6-4-7-11-20,21-12-8-5-9-13-21)26-17-14-19-18-25-16-15-22(19)24/h4-13,15-16,19,22,24H,14,17-18H2,1-3H3/t19-,22-/m1/s1
InChIKeyLZDWRJRTXSUEKQ-DENIHFKCSA-N
XLogP3.47
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 ≤ 53.47
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

Analyze (3R,4S)-3-[2-[tert-butyl(diphenyl)silyl]oxyethyl]-3,4-dihydro-2H-pyran-4-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,6S)-6-[2-[tert-butyl(diphenyl)silyl]oxyethyl]-3,6-dihydro-2H-pyran-3-ol
CID 101438231
(2S,3R,4R)-2-[[tert-butyl(diphenyl)silyl]oxymethyl]-3,4-dihydro-2H-pyran-3,4-diol
CID 99774565
1-[(2S,3R,4R,5S)-5-[2-[tert-butyl(diphenyl)silyl]oxyethyl]-3,4-dihydroxyoxan-2-yl]propan-2-one
CID 12041081
2-[[tert-butyl(diphenyl)silyl]oxymethyl]cyclobutan-1-ol
CID 74035630
(2S)-2-[[tert-butyl(diphenyl)silyl]oxymethyl]cyclobutan-1-ol
CID 174251063
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
(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
12-[tert-butyl(diphenyl)silyl]oxydodecan-1-ol
CID 11015684
4-[tert-butyl(diphenyl)silyl]oxy-1,1-diphenylbutan-1-ol
CID 165343479
(5R)-5-[[tert-butyl(diphenyl)silyl]oxymethyl]-1,4-dioxan-2-ol
CID 162409626
3-bromopropoxy-tert-butyl-diphenylsilane
CID 11245865

Frequently Asked Questions

What is the IUPAC name of (3R,4S)-3-[2-[tert-butyl(diphenyl)silyl]oxyethyl]-3,4-dihydro-2H-pyran-4-ol?
The IUPAC name of (3R,4S)-3-[2-[tert-butyl(diphenyl)silyl]oxyethyl]-3,4-dihydro-2H-pyran-4-ol (CID 99865831) is (3R,4S)-3-[2-[tert-butyl(diphenyl)silyl]oxyethyl]-3,4-dihydro-2H-pyran-4-ol.
What is the SMILES notation for (3R,4S)-3-[2-[tert-butyl(diphenyl)silyl]oxyethyl]-3,4-dihydro-2H-pyran-4-ol?
The canonical SMILES for (3R,4S)-3-[2-[tert-butyl(diphenyl)silyl]oxyethyl]-3,4-dihydro-2H-pyran-4-ol is CC(C)(C)[Si](OCC[C@@H]1COC=C[C@H]1O)(c1ccccc1)c1ccccc1.
What is the InChIKey of (3R,4S)-3-[2-[tert-butyl(diphenyl)silyl]oxyethyl]-3,4-dihydro-2H-pyran-4-ol?
The InChIKey is LZDWRJRTXSUEKQ-DENIHFKCSA-N. The full InChI is InChI=1S/C23H30O3Si/c1-23(2,3)27(20-10-6-4-7-11-20,21-12-8-5-9-13-21)26-17-14-19-18-25-16-15-22(19)24/h4-13,15-16,19,22,24H,14,17-18H2,1-3H3/t19-,22-/m1/s1.
What are the key properties of (3R,4S)-3-[2-[tert-butyl(diphenyl)silyl]oxyethyl]-3,4-dihydro-2H-pyran-4-ol?
(3R,4S)-3-[2-[tert-butyl(diphenyl)silyl]oxyethyl]-3,4-dihydro-2H-pyran-4-ol has a molecular weight of 382.58 g/mol, XLogP of 3.47, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (3R,4S)-3-[2-[tert-butyl(diphenyl)silyl]oxyethyl]-3,4-dihydro-2H-pyran-4-ol is sourced from PubChem (CID 99865831), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).