(5R)-5-[[tert-butyl(diphenyl)silyl]oxymethyl]-1,4-dioxan-2-ol

C21H28O4Si — CID 162409626

IUPAC(5R)-5-[[tert-butyl(diphenyl)silyl]oxymethyl]-1,4-dioxan-2-ol
SMILESCC(C)(C)[Si](OC[C@H]1COC(O)CO1)(c1ccccc1)c1ccccc1
InChIInChI=1S/C21H28O4Si/c1-21(2,3)26(18-10-6-4-7-11-18,19-12-8-5-9-13-19)25-15-17-14-24-20(22)16-23-17/h4-13,17,20,22H,14-16H2,1-3H3/t17-,20?/m1/s1
InChIKeyQEUROLVGUQDHGW-DIAVIDTQSA-N
MW372.54 g/mol
LogP2.30
Rot. Bonds5

About (5R)-5-[[tert-butyl(diphenyl)silyl]oxymethyl]-1,4-dioxan-2-ol

(5R)-5-[[tert-butyl(diphenyl)silyl]oxymethyl]-1,4-dioxan-2-ol (PubChem CID 162409626) has the molecular formula C21H28O4Si and a molecular weight of 372.54 g/mol. Its IUPAC name is (5R)-5-[[tert-butyl(diphenyl)silyl]oxymethyl]-1,4-dioxan-2-ol.

Molecular Properties

Compound Name(5R)-5-[[tert-butyl(diphenyl)silyl]oxymethyl]-1,4-dioxan-2-ol
PubChem CID162409626
Molecular FormulaC21H28O4Si
Molecular Weight372.54 g/mol
Exact Mass372.18
IUPAC Name(5R)-5-[[tert-butyl(diphenyl)silyl]oxymethyl]-1,4-dioxan-2-ol
SMILESCC(C)(C)[Si](OC[C@H]1COC(O)CO1)(c1ccccc1)c1ccccc1
InChIInChI=1S/C21H28O4Si/c1-21(2,3)26(18-10-6-4-7-11-18,19-12-8-5-9-13-19)25-15-17-14-24-20(22)16-23-17/h4-13,17,20,22H,14-16H2,1-3H3/t17-,20?/m1/s1
InChIKeyQEUROLVGUQDHGW-DIAVIDTQSA-N
XLogP2.30
TPSA47.92 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500372.54
LogP ≤ 52.30
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

tert-butyl-(1,4,7,10,13,16-hexaoxacyclooctadec-2-ylmethoxy)-diphenylsilane
CID 102228442
(3R,6S)-6-[[tert-butyl(diphenyl)silyl]oxymethyl]oxan-3-amine
CID 142544481
tert-butyl-[[(2S)-oxolan-2-yl]methoxy]-diphenylsilane
CID 56616386
[(2R,5S)-5-[[tert-butyl(diphenyl)silyl]oxymethyl]oxolan-2-yl]methanol
CID 10981523
(2R,3S,5S)-5-[[tert-butyl(diphenyl)silyl]oxymethyl]-3-fluorooxolan-2-ol
CID 90339346
(3S,5S)-5-[[tert-butyl(diphenyl)silyl]oxymethyl]-3-fluorooxolan-2-ol
CID 101223113
[(2R,5R)-5-[[tert-butyl(diphenyl)silyl]oxymethyl]-2-methyloxolan-2-yl]methanol
CID 16736190
(4S)-6-[[tert-butyl(diphenyl)silyl]oxymethyl]-4-hydroxyoxan-2-one
CID 163054050
tert-butyl N-[(3R,6S)-6-[[tert-butyl(diphenyl)silyl]oxymethyl]oxan-3-yl]carbamate
CID 142544419
(2S)-2-[[tert-butyl(diphenyl)silyl]oxymethyl]cyclobutan-1-ol
CID 174251063
2-[[tert-butyl(diphenyl)silyl]oxymethyl]cyclobutan-1-ol
CID 74035630
(3aS,4R,7S,7aR)-4-[[tert-butyl(diphenyl)silyl]oxymethyl]-2,2-dimethyl-4,6,7,7a-tetrahydro-3aH-[1,3]dioxolo[4,5-c]pyran-7-ol
CID 101470803

Frequently Asked Questions

What is the IUPAC name of (5R)-5-[[tert-butyl(diphenyl)silyl]oxymethyl]-1,4-dioxan-2-ol?
The IUPAC name of (5R)-5-[[tert-butyl(diphenyl)silyl]oxymethyl]-1,4-dioxan-2-ol (CID 162409626) is (5R)-5-[[tert-butyl(diphenyl)silyl]oxymethyl]-1,4-dioxan-2-ol.
What is the SMILES notation for (5R)-5-[[tert-butyl(diphenyl)silyl]oxymethyl]-1,4-dioxan-2-ol?
The canonical SMILES for (5R)-5-[[tert-butyl(diphenyl)silyl]oxymethyl]-1,4-dioxan-2-ol is CC(C)(C)[Si](OC[C@H]1COC(O)CO1)(c1ccccc1)c1ccccc1.
What is the InChIKey of (5R)-5-[[tert-butyl(diphenyl)silyl]oxymethyl]-1,4-dioxan-2-ol?
The InChIKey is QEUROLVGUQDHGW-DIAVIDTQSA-N. The full InChI is InChI=1S/C21H28O4Si/c1-21(2,3)26(18-10-6-4-7-11-18,19-12-8-5-9-13-19)25-15-17-14-24-20(22)16-23-17/h4-13,17,20,22H,14-16H2,1-3H3/t17-,20?/m1/s1.
What are the key properties of (5R)-5-[[tert-butyl(diphenyl)silyl]oxymethyl]-1,4-dioxan-2-ol?
(5R)-5-[[tert-butyl(diphenyl)silyl]oxymethyl]-1,4-dioxan-2-ol has a molecular weight of 372.54 g/mol, XLogP of 2.30, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (5R)-5-[[tert-butyl(diphenyl)silyl]oxymethyl]-1,4-dioxan-2-ol is sourced from PubChem (CID 162409626), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).