methyl (2Z)-2-[4-[[tert-butyl(diphenyl)silyl]oxymethyl]-4-methyloxolan-2-ylidene]propanoate

C26H34O4Si — CID 101152428

IUPACmethyl (2Z)-2-[4-[[tert-butyl(diphenyl)silyl]oxymethyl]-4-methyloxolan-2-ylidene]propanoate
SMILESCOC(=O)/C(C)=C1/CC(C)(CO[Si](c2ccccc2)(c2ccccc2)C(C)(C)C)CO1
InChIInChI=1S/C26H34O4Si/c1-20(24(27)28-6)23-17-26(5,18-29-23)19-30-31(25(2,3)4,21-13-9-7-10-14-21)22-15-11-8-12-16-22/h7-16H,17-19H2,1-6H3/b23-20-
InChIKeyITXUUQBUKOWLSU-ATJXCDBQSA-N
MW438.64 g/mol
LogP4.44
Rot. Bonds6

About methyl (2Z)-2-[4-[[tert-butyl(diphenyl)silyl]oxymethyl]-4-methyloxolan-2-ylidene]propanoate

methyl (2Z)-2-[4-[[tert-butyl(diphenyl)silyl]oxymethyl]-4-methyloxolan-2-ylidene]propanoate (PubChem CID 101152428) has the molecular formula C26H34O4Si and a molecular weight of 438.64 g/mol. Its IUPAC name is methyl (2Z)-2-[4-[[tert-butyl(diphenyl)silyl]oxymethyl]-4-methyloxolan-2-ylidene]propanoate.

Molecular Properties

Compound Namemethyl (2Z)-2-[4-[[tert-butyl(diphenyl)silyl]oxymethyl]-4-methyloxolan-2-ylidene]propanoate
PubChem CID101152428
Molecular FormulaC26H34O4Si
Molecular Weight438.64 g/mol
Exact Mass438.22
IUPAC Namemethyl (2Z)-2-[4-[[tert-butyl(diphenyl)silyl]oxymethyl]-4-methyloxolan-2-ylidene]propanoate
SMILESCOC(=O)/C(C)=C1/CC(C)(CO[Si](c2ccccc2)(c2ccccc2)C(C)(C)C)CO1
InChIInChI=1S/C26H34O4Si/c1-20(24(27)28-6)23-17-26(5,18-29-23)19-30-31(25(2,3)4,21-13-9-7-10-14-21)22-15-11-8-12-16-22/h7-16H,17-19H2,1-6H3/b23-20-
InChIKeyITXUUQBUKOWLSU-ATJXCDBQSA-N
XLogP4.44
TPSA44.76 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500438.64
LogP ≤ 54.44
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'heavy_metal', 'substructure': 'N/A'}, {'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}

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Related Compounds

tert-butyl-[[(2S)-2-methyloxiran-2-yl]methoxy]-diphenylsilane
CID 11290341
methyl 4-[[tert-butyl(diphenyl)silyl]oxymethyl]bicyclo[2.2.2]octane-1-carboxylate
CID 142526845
(4S)-4-[[tert-butyl(diphenyl)silyl]oxymethyl]-4-methyl-1,3-oxazolidin-2-one
CID 23651169
[2-[[tert-butyl(diphenyl)silyl]oxymethyl]-1,3-dioxolan-2-yl] acetate
CID 67792078
5-[[tert-butyl(diphenyl)silyl]oxymethyl]-3-hydroxy-5-methylcyclohex-2-en-1-one
CID 140892968
4-[[tert-butyl(diphenyl)silyl]oxymethyl]-4-methylcyclohexan-1-ol
CID 66761813
[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
methyl (1R,2R)-2-acetyloxy-1-[[tert-butyl(diphenyl)silyl]oxymethyl]cyclopent-3-ene-1-carboxylate
CID 67024439
benzyl N-[[1-[[tert-butyl(diphenyl)silyl]oxymethyl]cyclopropyl]methyl]carbamate
CID 68527039
(E)-3-[4-[[tert-butyl(diphenyl)silyl]oxymethyl]-1-bicyclo[2.2.2]octanyl]prop-2-enoic acid
CID 160957767

Frequently Asked Questions

What is the IUPAC name of methyl (2Z)-2-[4-[[tert-butyl(diphenyl)silyl]oxymethyl]-4-methyloxolan-2-ylidene]propanoate?
The IUPAC name of methyl (2Z)-2-[4-[[tert-butyl(diphenyl)silyl]oxymethyl]-4-methyloxolan-2-ylidene]propanoate (CID 101152428) is methyl (2Z)-2-[4-[[tert-butyl(diphenyl)silyl]oxymethyl]-4-methyloxolan-2-ylidene]propanoate.
What is the SMILES notation for methyl (2Z)-2-[4-[[tert-butyl(diphenyl)silyl]oxymethyl]-4-methyloxolan-2-ylidene]propanoate?
The canonical SMILES for methyl (2Z)-2-[4-[[tert-butyl(diphenyl)silyl]oxymethyl]-4-methyloxolan-2-ylidene]propanoate is COC(=O)/C(C)=C1/CC(C)(CO[Si](c2ccccc2)(c2ccccc2)C(C)(C)C)CO1.
What is the InChIKey of methyl (2Z)-2-[4-[[tert-butyl(diphenyl)silyl]oxymethyl]-4-methyloxolan-2-ylidene]propanoate?
The InChIKey is ITXUUQBUKOWLSU-ATJXCDBQSA-N. The full InChI is InChI=1S/C26H34O4Si/c1-20(24(27)28-6)23-17-26(5,18-29-23)19-30-31(25(2,3)4,21-13-9-7-10-14-21)22-15-11-8-12-16-22/h7-16H,17-19H2,1-6H3/b23-20-.
What are the key properties of methyl (2Z)-2-[4-[[tert-butyl(diphenyl)silyl]oxymethyl]-4-methyloxolan-2-ylidene]propanoate?
methyl (2Z)-2-[4-[[tert-butyl(diphenyl)silyl]oxymethyl]-4-methyloxolan-2-ylidene]propanoate has a molecular weight of 438.64 g/mol, XLogP of 4.44, 6 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for methyl (2Z)-2-[4-[[tert-butyl(diphenyl)silyl]oxymethyl]-4-methyloxolan-2-ylidene]propanoate is sourced from PubChem (CID 101152428), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).