[(3R,4R)-4-[[tert-butyl(diphenyl)silyl]oxymethyl]-1,2-oxazolidin-3-yl]methanol

C21H29NO3Si — CID 132942450

IUPAC[(3R,4R)-4-[[tert-butyl(diphenyl)silyl]oxymethyl]-1,2-oxazolidin-3-yl]methanol
SMILESCC(C)(C)[Si](OC[C@H]1CON[C@H]1CO)(c1ccccc1)c1ccccc1
InChIInChI=1S/C21H29NO3Si/c1-21(2,3)26(18-10-6-4-7-11-18,19-12-8-5-9-13-19)25-16-17-15-24-22-20(17)14-23/h4-13,17,20,22-23H,14-16H2,1-3H3/t17-,20+/m1/s1
InChIKeyJABHXYGCYYBKJV-XLIONFOSSA-N
MW371.55 g/mol
LogP2.07
Rot. Bonds6

About [(3R,4R)-4-[[tert-butyl(diphenyl)silyl]oxymethyl]-1,2-oxazolidin-3-yl]methanol

[(3R,4R)-4-[[tert-butyl(diphenyl)silyl]oxymethyl]-1,2-oxazolidin-3-yl]methanol (PubChem CID 132942450) has the molecular formula C21H29NO3Si and a molecular weight of 371.55 g/mol. Its IUPAC name is [(3R,4R)-4-[[tert-butyl(diphenyl)silyl]oxymethyl]-1,2-oxazolidin-3-yl]methanol.

Molecular Properties

Compound Name[(3R,4R)-4-[[tert-butyl(diphenyl)silyl]oxymethyl]-1,2-oxazolidin-3-yl]methanol
PubChem CID132942450
Molecular FormulaC21H29NO3Si
Molecular Weight371.55 g/mol
Exact Mass371.19
IUPAC Name[(3R,4R)-4-[[tert-butyl(diphenyl)silyl]oxymethyl]-1,2-oxazolidin-3-yl]methanol
SMILESCC(C)(C)[Si](OC[C@H]1CON[C@H]1CO)(c1ccccc1)c1ccccc1
InChIInChI=1S/C21H29NO3Si/c1-21(2,3)26(18-10-6-4-7-11-18,19-12-8-5-9-13-19)25-16-17-15-24-22-20(17)14-23/h4-13,17,20,22-23H,14-16H2,1-3H3/t17-,20+/m1/s1
InChIKeyJABHXYGCYYBKJV-XLIONFOSSA-N
XLogP2.07
TPSA50.72 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500371.55
LogP ≤ 52.07
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

[(3S,4R)-4-[[tert-butyl(diphenyl)silyl]oxymethyl]pyrrolidin-3-yl]methanol
CID 178119164
(2S)-2-[[tert-butyl(diphenyl)silyl]oxymethyl]cyclobutan-1-ol
CID 174251063
2-[[tert-butyl(diphenyl)silyl]oxymethyl]cyclobutan-1-ol
CID 74035630
tert-butyl-[[(3R,4R)-4-methoxyoxolan-3-yl]methoxy]-diphenylsilane
CID 67077747
2-[2-[[tert-butyl(diphenyl)silyl]oxymethyl]cyclopropyl]acetic acid
CID 146157316
[(2R,5S)-5-[[tert-butyl(diphenyl)silyl]oxymethyl]oxolan-2-yl]methanol
CID 10981523
(2S,3S,4aR,6S,7S,8aS,9aR,10aR)-6,7-bis[[tert-butyl(diphenyl)silyl]oxymethyl]-1,2,3,4,4a,5,6,7,8,8a,9,9a,10,10a-tetradecahydroanthracene-2,3-diol
CID 100959653
tert-butyl-[(2-methylcyclopentyl)methoxy]-diphenylsilane
CID 123161962
cis-(1R,2S)-2-[[tert-butyl(diphenyl)silyl]oxymethyl]cyclopropane-1-carbaldehyde;cis-(1S,2R)-2-[[tert-butyl(diphenyl)silyl]oxymethyl]cyclopropane-1-carbaldehyde
CID 162119958
4-[[tert-butyl(diphenyl)silyl]oxymethyl]-3-[(2-methylpropan-2-yl)oxy]cyclopentane-1,2-diol
CID 71138268
(5R)-5-[[tert-butyl(diphenyl)silyl]oxymethyl]-1,4-dioxan-2-ol
CID 162409626
[(1R,3R)-3-[[tert-butyl(diphenyl)silyl]oxymethyl]-2,2-difluorocyclopropyl]methanol
CID 58682742

Frequently Asked Questions

What is the IUPAC name of [(3R,4R)-4-[[tert-butyl(diphenyl)silyl]oxymethyl]-1,2-oxazolidin-3-yl]methanol?
The IUPAC name of [(3R,4R)-4-[[tert-butyl(diphenyl)silyl]oxymethyl]-1,2-oxazolidin-3-yl]methanol (CID 132942450) is [(3R,4R)-4-[[tert-butyl(diphenyl)silyl]oxymethyl]-1,2-oxazolidin-3-yl]methanol.
What is the SMILES notation for [(3R,4R)-4-[[tert-butyl(diphenyl)silyl]oxymethyl]-1,2-oxazolidin-3-yl]methanol?
The canonical SMILES for [(3R,4R)-4-[[tert-butyl(diphenyl)silyl]oxymethyl]-1,2-oxazolidin-3-yl]methanol is CC(C)(C)[Si](OC[C@H]1CON[C@H]1CO)(c1ccccc1)c1ccccc1.
What is the InChIKey of [(3R,4R)-4-[[tert-butyl(diphenyl)silyl]oxymethyl]-1,2-oxazolidin-3-yl]methanol?
The InChIKey is JABHXYGCYYBKJV-XLIONFOSSA-N. The full InChI is InChI=1S/C21H29NO3Si/c1-21(2,3)26(18-10-6-4-7-11-18,19-12-8-5-9-13-19)25-16-17-15-24-22-20(17)14-23/h4-13,17,20,22-23H,14-16H2,1-3H3/t17-,20+/m1/s1.
What are the key properties of [(3R,4R)-4-[[tert-butyl(diphenyl)silyl]oxymethyl]-1,2-oxazolidin-3-yl]methanol?
[(3R,4R)-4-[[tert-butyl(diphenyl)silyl]oxymethyl]-1,2-oxazolidin-3-yl]methanol has a molecular weight of 371.55 g/mol, XLogP of 2.07, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [(3R,4R)-4-[[tert-butyl(diphenyl)silyl]oxymethyl]-1,2-oxazolidin-3-yl]methanol is sourced from PubChem (CID 132942450), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).