methyl 2-[(2R,3R,6S)-6-[[tert-butyl(dimethyl)silyl]oxymethyl]-2-prop-2-enyl-3,6-dihydro-2H-pyran-3-yl]propanoate

C19H34O4Si — CID 10915230

IUPACmethyl 2-[(2R,3R,6S)-6-[[tert-butyl(dimethyl)silyl]oxymethyl]-2-prop-2-enyl-3,6-dihydro-2H-pyran-3-yl]propanoate
SMILESC=CC[C@H]1O[C@H](CO[Si](C)(C)C(C)(C)C)C=C[C@@H]1C(C)C(=O)OC
InChIInChI=1S/C19H34O4Si/c1-9-10-17-16(14(2)18(20)21-6)12-11-15(23-17)13-22-24(7,8)19(3,4)5/h9,11-12,14-17H,1,10,13H2,2-8H3/t14?,15-,16+,17+/m0/s1
InChIKeyKUWVMIFDXLUOLV-GYXHSTLNSA-N
MW354.56 g/mol
LogP4.33
Rot. Bonds7

About methyl 2-[(2R,3R,6S)-6-[[tert-butyl(dimethyl)silyl]oxymethyl]-2-prop-2-enyl-3,6-dihydro-2H-pyran-3-yl]propanoate

methyl 2-[(2R,3R,6S)-6-[[tert-butyl(dimethyl)silyl]oxymethyl]-2-prop-2-enyl-3,6-dihydro-2H-pyran-3-yl]propanoate (PubChem CID 10915230) has the molecular formula C19H34O4Si and a molecular weight of 354.56 g/mol. Its IUPAC name is methyl 2-[(2R,3R,6S)-6-[[tert-butyl(dimethyl)silyl]oxymethyl]-2-prop-2-enyl-3,6-dihydro-2H-pyran-3-yl]propanoate.

Molecular Properties

Compound Namemethyl 2-[(2R,3R,6S)-6-[[tert-butyl(dimethyl)silyl]oxymethyl]-2-prop-2-enyl-3,6-dihydro-2H-pyran-3-yl]propanoate
PubChem CID10915230
Molecular FormulaC19H34O4Si
Molecular Weight354.56 g/mol
Exact Mass354.22
IUPAC Namemethyl 2-[(2R,3R,6S)-6-[[tert-butyl(dimethyl)silyl]oxymethyl]-2-prop-2-enyl-3,6-dihydro-2H-pyran-3-yl]propanoate
SMILESC=CC[C@H]1O[C@H](CO[Si](C)(C)C(C)(C)C)C=C[C@@H]1C(C)C(=O)OC
InChIInChI=1S/C19H34O4Si/c1-9-10-17-16(14(2)18(20)21-6)12-11-15(23-17)13-22-24(7,8)19(3,4)5/h9,11-12,14-17H,1,10,13H2,2-8H3/t14?,15-,16+,17+/m0/s1
InChIKeyKUWVMIFDXLUOLV-GYXHSTLNSA-N
XLogP4.33
TPSA44.76 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500354.56
LogP ≤ 54.33
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'}

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Launch Full Analysis

Related Compounds

ethyl 2-[(1S,5R)-5-[(E,3S)-3-[tert-butyl(dimethyl)silyl]oxyoct-1-enyl]cyclopent-2-en-1-yl]acetate
CID 134916264
[tert-butyl(dimethyl)silyl] 2-[(2S,3S,6S)-2-[2-[tert-butyl(dimethyl)silyl]oxy-2-oxoethyl]-6-methyl-3,6-dihydro-2H-pyran-3-yl]acetate
CID 134930555
[tert-butyl(dimethyl)silyl] 2-[(2S,3R)-2-[2-[tert-butyl(dimethyl)silyl]oxy-2-oxoethyl]-3,6-dihydro-2H-pyran-3-yl]acetate
CID 134931472
[tert-butyl(dimethyl)silyl] 2-[(2S,3R,6S)-6-[1-[tert-butyl(dimethyl)silyl]oxyethenoxymethyl]-2-[2-[tert-butyl(dimethyl)silyl]oxy-2-oxoethyl]-3,6-dihydro-2H-pyran-3-yl]acetate
CID 134931717
[tert-butyl(dimethyl)silyl] 2-[(2R,3S,6S)-2-[2-[tert-butyl(dimethyl)silyl]oxy-2-oxoethyl]-6-methyl-3,6-dihydro-2H-pyran-3-yl]acetate
CID 134931795
ethyl 2-[(1S,5R)-5-[(E,3S)-3-[tert-butyl(dimethyl)silyl]oxypent-1-enyl]cyclopent-2-en-1-yl]acetate
CID 135082717
[(2Z,4R,5S,6S)-5-[tert-butyl(dimethyl)silyl]oxy-6-methoxy-2,4-dimethylocta-2,7-dienyl] hept-6-enoate
CID 11396164
[(3R,4Z,7S,8S)-7-[tert-butyl(dimethyl)silyl]oxy-8-methoxy-2,4,6-trimethyldeca-4,9-dien-3-yl] hept-6-enoate
CID 58488356
[(3S,4Z,7S,8S)-7-[tert-butyl(dimethyl)silyl]oxy-8-methoxy-2,4,6-trimethyldeca-4,9-dien-3-yl] hept-6-enoate
CID 58488364
(7E,9S,10S,11R,12Z)-10-[tert-butyl(dimethyl)silyl]oxy-9-methoxy-11,13-dimethyl-1-oxacyclotetradeca-7,12-dien-2-one
CID 58811382
[(3S,4Z,6R,7S,8S)-7-[tert-butyl(dimethyl)silyl]oxy-8-methoxy-2,4,6-trimethyldeca-4,9-dien-3-yl] hept-6-enoate
CID 58811385
propan-2-yl (Z)-7-[(2R,3S,4R)-2-[(E,3S)-3-[tert-butyl(dimethyl)silyl]oxypent-1-enyl]-4-methyloxolan-3-yl]hept-4-enoate
CID 59906165

Frequently Asked Questions

What is the IUPAC name of methyl 2-[(2R,3R,6S)-6-[[tert-butyl(dimethyl)silyl]oxymethyl]-2-prop-2-enyl-3,6-dihydro-2H-pyran-3-yl]propanoate?
The IUPAC name of methyl 2-[(2R,3R,6S)-6-[[tert-butyl(dimethyl)silyl]oxymethyl]-2-prop-2-enyl-3,6-dihydro-2H-pyran-3-yl]propanoate (CID 10915230) is methyl 2-[(2R,3R,6S)-6-[[tert-butyl(dimethyl)silyl]oxymethyl]-2-prop-2-enyl-3,6-dihydro-2H-pyran-3-yl]propanoate.
What is the SMILES notation for methyl 2-[(2R,3R,6S)-6-[[tert-butyl(dimethyl)silyl]oxymethyl]-2-prop-2-enyl-3,6-dihydro-2H-pyran-3-yl]propanoate?
The canonical SMILES for methyl 2-[(2R,3R,6S)-6-[[tert-butyl(dimethyl)silyl]oxymethyl]-2-prop-2-enyl-3,6-dihydro-2H-pyran-3-yl]propanoate is C=CC[C@H]1O[C@H](CO[Si](C)(C)C(C)(C)C)C=C[C@@H]1C(C)C(=O)OC.
What is the InChIKey of methyl 2-[(2R,3R,6S)-6-[[tert-butyl(dimethyl)silyl]oxymethyl]-2-prop-2-enyl-3,6-dihydro-2H-pyran-3-yl]propanoate?
The InChIKey is KUWVMIFDXLUOLV-GYXHSTLNSA-N. The full InChI is InChI=1S/C19H34O4Si/c1-9-10-17-16(14(2)18(20)21-6)12-11-15(23-17)13-22-24(7,8)19(3,4)5/h9,11-12,14-17H,1,10,13H2,2-8H3/t14?,15-,16+,17+/m0/s1.
What are the key properties of methyl 2-[(2R,3R,6S)-6-[[tert-butyl(dimethyl)silyl]oxymethyl]-2-prop-2-enyl-3,6-dihydro-2H-pyran-3-yl]propanoate?
methyl 2-[(2R,3R,6S)-6-[[tert-butyl(dimethyl)silyl]oxymethyl]-2-prop-2-enyl-3,6-dihydro-2H-pyran-3-yl]propanoate has a molecular weight of 354.56 g/mol, XLogP of 4.33, 7 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 2-[(2R,3R,6S)-6-[[tert-butyl(dimethyl)silyl]oxymethyl]-2-prop-2-enyl-3,6-dihydro-2H-pyran-3-yl]propanoate is sourced from PubChem (CID 10915230), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).