ethyl 2-[(4R,6R)-2,2-diphenyl-6-[(E)-prop-1-enyl]-1,3,2-dioxasilinan-4-yl]acetate

C22H26O4Si — CID 99771242

IUPACethyl 2-[(4R,6R)-2,2-diphenyl-6-[(E)-prop-1-enyl]-1,3,2-dioxasilinan-4-yl]acetate
SMILESC/C=C/[C@H]1C[C@H](CC(=O)OCC)O[Si](c2ccccc2)(c2ccccc2)O1
InChIInChI=1S/C22H26O4Si/c1-3-11-18-16-19(17-22(23)24-4-2)26-27(25-18,20-12-7-5-8-13-20)21-14-9-6-10-15-21/h3,5-15,18-19H,4,16-17H2,1-2H3/b11-3+/t18-,19+/m0/s1
InChIKeyQWFYBRNLHRWLEZ-KUVLTPQXSA-N
MW382.53 g/mol
LogP2.95
Rot. Bonds6

About ethyl 2-[(4R,6R)-2,2-diphenyl-6-[(E)-prop-1-enyl]-1,3,2-dioxasilinan-4-yl]acetate

ethyl 2-[(4R,6R)-2,2-diphenyl-6-[(E)-prop-1-enyl]-1,3,2-dioxasilinan-4-yl]acetate (PubChem CID 99771242) has the molecular formula C22H26O4Si and a molecular weight of 382.53 g/mol. Its IUPAC name is ethyl 2-[(4R,6R)-2,2-diphenyl-6-[(E)-prop-1-enyl]-1,3,2-dioxasilinan-4-yl]acetate.

Molecular Properties

Compound Nameethyl 2-[(4R,6R)-2,2-diphenyl-6-[(E)-prop-1-enyl]-1,3,2-dioxasilinan-4-yl]acetate
PubChem CID99771242
Molecular FormulaC22H26O4Si
Molecular Weight382.53 g/mol
Exact Mass382.16
IUPAC Nameethyl 2-[(4R,6R)-2,2-diphenyl-6-[(E)-prop-1-enyl]-1,3,2-dioxasilinan-4-yl]acetate
SMILESC/C=C/[C@H]1C[C@H](CC(=O)OCC)O[Si](c2ccccc2)(c2ccccc2)O1
InChIInChI=1S/C22H26O4Si/c1-3-11-18-16-19(17-22(23)24-4-2)26-27(25-18,20-12-7-5-8-13-20)21-14-9-6-10-15-21/h3,5-15,18-19H,4,16-17H2,1-2H3/b11-3+/t18-,19+/m0/s1
InChIKeyQWFYBRNLHRWLEZ-KUVLTPQXSA-N
XLogP2.95
TPSA44.76 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500382.53
LogP ≤ 52.95
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

Analyze ethyl 2-[(4R,6R)-2,2-diphenyl-6-[(E)-prop-1-enyl]-1,3,2-dioxasilinan-4-yl]acetate with MolForge

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Related Compounds

ethyl 2-[(2S,4S,6R)-4-hydroxy-6-phenyloxan-2-yl]acetate
CID 101247662
ethyl 2-(1,1,2-trimethyl-2-phenyldisilolan-4-yl)acetate
CID 10733495
ethyl 3-[(3R,5S)-2,2,5-triphenyloxasilolan-3-yl]propanoate
CID 100955833
ethyl 2-(2,3-dihydro-1H-inden-2-yl)acetate
CID 10104359
ethyl 2-(2,3-diphenylcycloprop-2-en-1-yl)acetate
CID 134888250
ethyl 2-[(1R,2S)-1-oxo-1-phenyl-2,5-dihydro-1λ5-phosphol-2-yl]acetate
CID 68524102
ethyl 2-[(2R,4R,6R)-4-[tert-butyl(dimethyl)silyl]oxy-6-phenyloxan-2-yl]acetate
CID 166448975
ethyl 2-[(4R,6S)-2,2-ditert-butyl-6-(2-hydroxyethyl)-1,3,2-dioxasilinan-4-yl]acetate
CID 91499780
ethyl (Z)-3-phenylpent-3-enoate
CID 134988020
diethyl (4R,5R)-2-(2-phenylethenyl)-1,3-dioxolane-4,5-dicarboxylate
CID 54092539
ethyl 3-hydroxy-3-phenylhex-4-enoate
CID 66650446
ethyl 3-phenylpropanoate;propanal
CID 90891703

Frequently Asked Questions

What is the IUPAC name of ethyl 2-[(4R,6R)-2,2-diphenyl-6-[(E)-prop-1-enyl]-1,3,2-dioxasilinan-4-yl]acetate?
The IUPAC name of ethyl 2-[(4R,6R)-2,2-diphenyl-6-[(E)-prop-1-enyl]-1,3,2-dioxasilinan-4-yl]acetate (CID 99771242) is ethyl 2-[(4R,6R)-2,2-diphenyl-6-[(E)-prop-1-enyl]-1,3,2-dioxasilinan-4-yl]acetate.
What is the SMILES notation for ethyl 2-[(4R,6R)-2,2-diphenyl-6-[(E)-prop-1-enyl]-1,3,2-dioxasilinan-4-yl]acetate?
The canonical SMILES for ethyl 2-[(4R,6R)-2,2-diphenyl-6-[(E)-prop-1-enyl]-1,3,2-dioxasilinan-4-yl]acetate is C/C=C/[C@H]1C[C@H](CC(=O)OCC)O[Si](c2ccccc2)(c2ccccc2)O1.
What is the InChIKey of ethyl 2-[(4R,6R)-2,2-diphenyl-6-[(E)-prop-1-enyl]-1,3,2-dioxasilinan-4-yl]acetate?
The InChIKey is QWFYBRNLHRWLEZ-KUVLTPQXSA-N. The full InChI is InChI=1S/C22H26O4Si/c1-3-11-18-16-19(17-22(23)24-4-2)26-27(25-18,20-12-7-5-8-13-20)21-14-9-6-10-15-21/h3,5-15,18-19H,4,16-17H2,1-2H3/b11-3+/t18-,19+/m0/s1.
What are the key properties of ethyl 2-[(4R,6R)-2,2-diphenyl-6-[(E)-prop-1-enyl]-1,3,2-dioxasilinan-4-yl]acetate?
ethyl 2-[(4R,6R)-2,2-diphenyl-6-[(E)-prop-1-enyl]-1,3,2-dioxasilinan-4-yl]acetate has a molecular weight of 382.53 g/mol, XLogP of 2.95, 6 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 2-[(4R,6R)-2,2-diphenyl-6-[(E)-prop-1-enyl]-1,3,2-dioxasilinan-4-yl]acetate is sourced from PubChem (CID 99771242), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).