1-[(2S,4S,6S)-6-[2-[tert-butyl(dimethyl)silyl]oxyethyl]-2-phenyl-1,3-dioxan-4-yl]propan-2-one

C21H34O4Si — CID 25023541

IUPAC1-[(2S,4S,6S)-6-[2-[tert-butyl(dimethyl)silyl]oxyethyl]-2-phenyl-1,3-dioxan-4-yl]propan-2-one
SMILESCC(=O)C[C@@H]1C[C@H](CCO[Si](C)(C)C(C)(C)C)O[C@H](c2ccccc2)O1
InChIInChI=1S/C21H34O4Si/c1-16(22)14-19-15-18(12-13-23-26(5,6)21(2,3)4)24-20(25-19)17-10-8-7-9-11-17/h7-11,18-20H,12-15H2,1-6H3/t18-,19+,20-/m0/s1
InChIKeyHWMXXORLCXPYSM-ZCNNSNEGSA-N
MW378.59 g/mol
LogP5.25
Rot. Bonds7

About 1-[(2S,4S,6S)-6-[2-[tert-butyl(dimethyl)silyl]oxyethyl]-2-phenyl-1,3-dioxan-4-yl]propan-2-one

1-[(2S,4S,6S)-6-[2-[tert-butyl(dimethyl)silyl]oxyethyl]-2-phenyl-1,3-dioxan-4-yl]propan-2-one (PubChem CID 25023541) has the molecular formula C21H34O4Si and a molecular weight of 378.59 g/mol. Its IUPAC name is 1-[(2S,4S,6S)-6-[2-[tert-butyl(dimethyl)silyl]oxyethyl]-2-phenyl-1,3-dioxan-4-yl]propan-2-one.

Molecular Properties

Compound Name1-[(2S,4S,6S)-6-[2-[tert-butyl(dimethyl)silyl]oxyethyl]-2-phenyl-1,3-dioxan-4-yl]propan-2-one
PubChem CID25023541
Molecular FormulaC21H34O4Si
Molecular Weight378.59 g/mol
Exact Mass378.22
IUPAC Name1-[(2S,4S,6S)-6-[2-[tert-butyl(dimethyl)silyl]oxyethyl]-2-phenyl-1,3-dioxan-4-yl]propan-2-one
SMILESCC(=O)C[C@@H]1C[C@H](CCO[Si](C)(C)C(C)(C)C)O[C@H](c2ccccc2)O1
InChIInChI=1S/C21H34O4Si/c1-16(22)14-19-15-18(12-13-23-26(5,6)21(2,3)4)24-20(25-19)17-10-8-7-9-11-17/h7-11,18-20H,12-15H2,1-6H3/t18-,19+,20-/m0/s1
InChIKeyHWMXXORLCXPYSM-ZCNNSNEGSA-N
XLogP5.25
TPSA44.76 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms26
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500378.59
LogP ≤ 55.25
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

Analyze 1-[(2S,4S,6S)-6-[2-[tert-butyl(dimethyl)silyl]oxyethyl]-2-phenyl-1,3-dioxan-4-yl]propan-2-one 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

2-Methoxy-3-(2-methylbut-3-en-2-yl)-6-phenyloxan-4-one
CID 168285589
6-Fluoro-2,2,6-trimethyl-5-(oxan-2-yloxy)-7-phenylmethoxyheptan-3-one
CID 134925023
6,8-Dimethyl-7-phenylmethoxy-2,9-dioxabicyclo[3.3.1]nonan-3-one
CID 72820101
methyl 2-[(4R,6S)-6-[(1R,2R)-2-[tert-butyl(dimethyl)silyl]oxy-1-methoxy-2-phenylethyl]-2,2-dimethyl-5-oxo-1,3-dioxan-4-yl]acetate
CID 134837499
(4S)-4-[(1R,2R)-2-[tert-butyl(dimethyl)silyl]oxy-1-methoxy-2-phenylethyl]-2,2-dimethyl-1,3-dioxan-5-one
CID 134837826
(2S,3S,5R)-5-(benzyloxy)-3-((tert-butyldimethylsilyl)oxy)-2-hexylhexadecanoic acid
CID 10348166
5-O-benzyl 1-O-methyl (3S)-3-[tert-butyl(dimethyl)silyl]oxypentanedioate
CID 134942485
methyl 3-[(2R,4E)-3-[tert-butyl(dimethyl)silyl]oxy-4-(2-phenylmethoxyethylidene)oxan-2-yl]-3-hydroxypropanoate
CID 44347070
Methyl 5(s)-(4-fluorophenyl)-5-[tetrahydropyran-2(rs)-yloxy]pentanoate
CID 57758915
methyl 2-[(2R,4R,6R)-6-ethyl-2-phenyl-1,3-dioxan-4-yl]acetate
CID 10038442
(2R,3S,5R)-3-[tert-butyl(dimethyl)silyl]oxy-2-hexyl-5-phenylmethoxyhexadecanoic acid
CID 10053900
methyl 2-[(2S,4R,6S)-2-phenyl-6-propan-2-yl-1,3-dioxan-4-yl]acetate
CID 10062100

Frequently Asked Questions

What is the IUPAC name of 1-[(2S,4S,6S)-6-[2-[tert-butyl(dimethyl)silyl]oxyethyl]-2-phenyl-1,3-dioxan-4-yl]propan-2-one?
The IUPAC name of 1-[(2S,4S,6S)-6-[2-[tert-butyl(dimethyl)silyl]oxyethyl]-2-phenyl-1,3-dioxan-4-yl]propan-2-one (CID 25023541) is 1-[(2S,4S,6S)-6-[2-[tert-butyl(dimethyl)silyl]oxyethyl]-2-phenyl-1,3-dioxan-4-yl]propan-2-one.
What is the SMILES notation for 1-[(2S,4S,6S)-6-[2-[tert-butyl(dimethyl)silyl]oxyethyl]-2-phenyl-1,3-dioxan-4-yl]propan-2-one?
The canonical SMILES for 1-[(2S,4S,6S)-6-[2-[tert-butyl(dimethyl)silyl]oxyethyl]-2-phenyl-1,3-dioxan-4-yl]propan-2-one is CC(=O)C[C@@H]1C[C@H](CCO[Si](C)(C)C(C)(C)C)O[C@H](c2ccccc2)O1.
What is the InChIKey of 1-[(2S,4S,6S)-6-[2-[tert-butyl(dimethyl)silyl]oxyethyl]-2-phenyl-1,3-dioxan-4-yl]propan-2-one?
The InChIKey is HWMXXORLCXPYSM-ZCNNSNEGSA-N. The full InChI is InChI=1S/C21H34O4Si/c1-16(22)14-19-15-18(12-13-23-26(5,6)21(2,3)4)24-20(25-19)17-10-8-7-9-11-17/h7-11,18-20H,12-15H2,1-6H3/t18-,19+,20-/m0/s1.
What are the key properties of 1-[(2S,4S,6S)-6-[2-[tert-butyl(dimethyl)silyl]oxyethyl]-2-phenyl-1,3-dioxan-4-yl]propan-2-one?
1-[(2S,4S,6S)-6-[2-[tert-butyl(dimethyl)silyl]oxyethyl]-2-phenyl-1,3-dioxan-4-yl]propan-2-one has a molecular weight of 378.59 g/mol, XLogP of 5.25, 7 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(2S,4S,6S)-6-[2-[tert-butyl(dimethyl)silyl]oxyethyl]-2-phenyl-1,3-dioxan-4-yl]propan-2-one is sourced from PubChem (CID 25023541), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).