[2-[[tert-butyl(diphenyl)silyl]oxymethyl]-1,3-dioxolan-2-yl] acetate

C22H28O5Si — CID 67792078

IUPAC[2-[[tert-butyl(diphenyl)silyl]oxymethyl]-1,3-dioxolan-2-yl] acetate
SMILESCC(=O)OC1(CO[Si](c2ccccc2)(c2ccccc2)C(C)(C)C)OCCO1
InChIInChI=1S/C22H28O5Si/c1-18(23)27-22(24-15-16-25-22)17-26-28(21(2,3)4,19-11-7-5-8-12-19)20-13-9-6-10-14-20/h5-14H,15-17H2,1-4H3
InChIKeyMOMNNDQHMAKZRP-UHFFFAOYSA-N
MW400.55 g/mol
LogP2.83
Rot. Bonds6

About [2-[[tert-butyl(diphenyl)silyl]oxymethyl]-1,3-dioxolan-2-yl] acetate

[2-[[tert-butyl(diphenyl)silyl]oxymethyl]-1,3-dioxolan-2-yl] acetate (PubChem CID 67792078) has the molecular formula C22H28O5Si and a molecular weight of 400.55 g/mol. Its IUPAC name is [2-[[tert-butyl(diphenyl)silyl]oxymethyl]-1,3-dioxolan-2-yl] acetate.

Molecular Properties

Compound Name[2-[[tert-butyl(diphenyl)silyl]oxymethyl]-1,3-dioxolan-2-yl] acetate
PubChem CID67792078
Molecular FormulaC22H28O5Si
Molecular Weight400.55 g/mol
Exact Mass400.17
IUPAC Name[2-[[tert-butyl(diphenyl)silyl]oxymethyl]-1,3-dioxolan-2-yl] acetate
SMILESCC(=O)OC1(CO[Si](c2ccccc2)(c2ccccc2)C(C)(C)C)OCCO1
InChIInChI=1S/C22H28O5Si/c1-18(23)27-22(24-15-16-25-22)17-26-28(21(2,3)4,19-11-7-5-8-12-19)20-13-9-6-10-14-20/h5-14H,15-17H2,1-4H3
InChIKeyMOMNNDQHMAKZRP-UHFFFAOYSA-N
XLogP2.83
TPSA53.99 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500400.55
LogP ≤ 52.83
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

tert-butyl-[[(2S)-2-methyloxiran-2-yl]methoxy]-diphenylsilane
CID 11290341
[1-[[tert-butyl(diphenyl)silyl]oxymethyl]cyclopropyl] N-methylcarbamate
CID 91395092
1-[[tert-butyl(diphenyl)silyl]oxymethyl]-3,5-dimethylcyclohexa-2,5-diene-1-carboxylic acid
CID 135075131
2-[tert-butyl(diphenyl)silyl]oxyacetic acid
CID 11141564
tert-butyl-[(2-methylthiiran-2-yl)methoxy]-diphenylsilane
CID 140876888
methyl 4-[[tert-butyl(diphenyl)silyl]oxymethyl]bicyclo[2.2.2]octane-1-carboxylate
CID 142526845
1-bicyclo[1.1.1]pentanylmethoxy-tert-butyl-diphenylsilane
CID 142733105
methyl (2Z)-2-[4-[[tert-butyl(diphenyl)silyl]oxymethyl]-4-methyloxolan-2-ylidene]propanoate
CID 101152428
(3R,4R)-5-[[tert-butyl(diphenyl)silyl]oxymethyl]-3-hexyl-4-hydroxy-5-methyloxolan-2-one
CID 154446767
[(2S,3R,5R)-4-acetyloxy-5-[[tert-butyl(diphenyl)silyl]oxymethyl]-2-(hydroxymethyl)oxolan-3-yl] acetate
CID 58592657
[(3aS,4R,6R,7R,7aS)-6-[[tert-butyl(diphenyl)silyl]oxymethyl]-2,2-dimethyl-4-sulfanyl-4,6,7,7a-tetrahydro-3aH-[1,3]dioxolo[4,5-c]pyran-7-yl] acetate
CID 12000417
methyl (1R,2R)-2-acetyloxy-1-[[tert-butyl(diphenyl)silyl]oxymethyl]cyclopent-3-ene-1-carboxylate
CID 67024439

Frequently Asked Questions

What is the IUPAC name of [2-[[tert-butyl(diphenyl)silyl]oxymethyl]-1,3-dioxolan-2-yl] acetate?
The IUPAC name of [2-[[tert-butyl(diphenyl)silyl]oxymethyl]-1,3-dioxolan-2-yl] acetate (CID 67792078) is [2-[[tert-butyl(diphenyl)silyl]oxymethyl]-1,3-dioxolan-2-yl] acetate.
What is the SMILES notation for [2-[[tert-butyl(diphenyl)silyl]oxymethyl]-1,3-dioxolan-2-yl] acetate?
The canonical SMILES for [2-[[tert-butyl(diphenyl)silyl]oxymethyl]-1,3-dioxolan-2-yl] acetate is CC(=O)OC1(CO[Si](c2ccccc2)(c2ccccc2)C(C)(C)C)OCCO1.
What is the InChIKey of [2-[[tert-butyl(diphenyl)silyl]oxymethyl]-1,3-dioxolan-2-yl] acetate?
The InChIKey is MOMNNDQHMAKZRP-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H28O5Si/c1-18(23)27-22(24-15-16-25-22)17-26-28(21(2,3)4,19-11-7-5-8-12-19)20-13-9-6-10-14-20/h5-14H,15-17H2,1-4H3.
What are the key properties of [2-[[tert-butyl(diphenyl)silyl]oxymethyl]-1,3-dioxolan-2-yl] acetate?
[2-[[tert-butyl(diphenyl)silyl]oxymethyl]-1,3-dioxolan-2-yl] acetate has a molecular weight of 400.55 g/mol, XLogP of 2.83, 6 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [2-[[tert-butyl(diphenyl)silyl]oxymethyl]-1,3-dioxolan-2-yl] acetate is sourced from PubChem (CID 67792078), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).