(2R,6S)-6-[(2R)-but-3-en-2-yl]-2-[2-[tert-butyl(dimethyl)silyl]oxyethyl]-2H-pyran-5-one

C17H30O3Si — CID 23730308

IUPAC(2R,6S)-6-[(2R)-but-3-en-2-yl]-2-[2-[tert-butyl(dimethyl)silyl]oxyethyl]-2H-pyran-5-one
SMILESC=C[C@@H](C)[C@@H]1O[C@H](CCO[Si](C)(C)C(C)(C)C)C=CC1=O
InChIInChI=1S/C17H30O3Si/c1-8-13(2)16-15(18)10-9-14(20-16)11-12-19-21(6,7)17(3,4)5/h8-10,13-14,16H,1,11-12H2,2-7H3/t13-,14+,16+/m1/s1
InChIKeyJVGMFKYZIHNRGG-YCPHGPKFSA-N
MW310.51 g/mol
LogP4.11
Rot. Bonds6

About (2R,6S)-6-[(2R)-but-3-en-2-yl]-2-[2-[tert-butyl(dimethyl)silyl]oxyethyl]-2H-pyran-5-one

(2R,6S)-6-[(2R)-but-3-en-2-yl]-2-[2-[tert-butyl(dimethyl)silyl]oxyethyl]-2H-pyran-5-one (PubChem CID 23730308) has the molecular formula C17H30O3Si and a molecular weight of 310.51 g/mol. Its IUPAC name is (2R,6S)-6-[(2R)-but-3-en-2-yl]-2-[2-[tert-butyl(dimethyl)silyl]oxyethyl]-2H-pyran-5-one.

Molecular Properties

Compound Name(2R,6S)-6-[(2R)-but-3-en-2-yl]-2-[2-[tert-butyl(dimethyl)silyl]oxyethyl]-2H-pyran-5-one
PubChem CID23730308
Molecular FormulaC17H30O3Si
Molecular Weight310.51 g/mol
Exact Mass310.20
IUPAC Name(2R,6S)-6-[(2R)-but-3-en-2-yl]-2-[2-[tert-butyl(dimethyl)silyl]oxyethyl]-2H-pyran-5-one
SMILESC=C[C@@H](C)[C@@H]1O[C@H](CCO[Si](C)(C)C(C)(C)C)C=CC1=O
InChIInChI=1S/C17H30O3Si/c1-8-13(2)16-15(18)10-9-14(20-16)11-12-19-21(6,7)17(3,4)5/h8-10,13-14,16H,1,11-12H2,2-7H3/t13-,14+,16+/m1/s1
InChIKeyJVGMFKYZIHNRGG-YCPHGPKFSA-N
XLogP4.11
TPSA35.53 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500310.51
LogP ≤ 54.11
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

5-[2-[Tert-butyl(dimethyl)silyl]oxyethyl]-8-oxabicyclo[3.2.1]octa-3,6-dien-2-one
CID 57666197
1-[2-[Tert-butyl(dimethyl)silyl]oxyethyl]-8-oxabicyclo[3.2.1]octa-3,6-dien-2-one
CID 57666220
ethyl (E,4R,5R)-4-methyl-6-oxo-5-tri(propan-2-yl)silyloxyhept-2-enoate
CID 140220369
(2R,6R)-6-[[2,3-dimethylbutan-2-yl(dimethyl)silyl]oxymethyl]-2-propyl-2H-pyran-5-one
CID 10852623
(2S)-2-[(2S)-but-3-en-2-yl]-6-[2-[tert-butyl(dimethyl)silyl]oxyethyl]-6-hydroxypyran-3-one
CID 23730190
(2R,6S)-6-[(2S)-but-3-en-2-yl]-2-[2-[tert-butyl(dimethyl)silyl]oxyethyl]-2H-pyran-5-one
CID 23730191
(2S)-2-[(2R)-but-3-en-2-yl]-6-[2-[tert-butyl(dimethyl)silyl]oxyethyl]-6-hydroxypyran-3-one
CID 23730195
(2S,6S)-2-[[tert-butyl(dimethyl)silyl]oxymethyl]-6-prop-2-enyl-2H-pyran-5-one
CID 50993173
(2S)-2-but-3-en-2-yl-6-[2-[tert-butyl(dimethyl)silyl]oxyethyl]pyran-1-ium-3-one
CID 102411417

Frequently Asked Questions

What is the IUPAC name of (2R,6S)-6-[(2R)-but-3-en-2-yl]-2-[2-[tert-butyl(dimethyl)silyl]oxyethyl]-2H-pyran-5-one?
The IUPAC name of (2R,6S)-6-[(2R)-but-3-en-2-yl]-2-[2-[tert-butyl(dimethyl)silyl]oxyethyl]-2H-pyran-5-one (CID 23730308) is (2R,6S)-6-[(2R)-but-3-en-2-yl]-2-[2-[tert-butyl(dimethyl)silyl]oxyethyl]-2H-pyran-5-one.
What is the SMILES notation for (2R,6S)-6-[(2R)-but-3-en-2-yl]-2-[2-[tert-butyl(dimethyl)silyl]oxyethyl]-2H-pyran-5-one?
The canonical SMILES for (2R,6S)-6-[(2R)-but-3-en-2-yl]-2-[2-[tert-butyl(dimethyl)silyl]oxyethyl]-2H-pyran-5-one is C=C[C@@H](C)[C@@H]1O[C@H](CCO[Si](C)(C)C(C)(C)C)C=CC1=O.
What is the InChIKey of (2R,6S)-6-[(2R)-but-3-en-2-yl]-2-[2-[tert-butyl(dimethyl)silyl]oxyethyl]-2H-pyran-5-one?
The InChIKey is JVGMFKYZIHNRGG-YCPHGPKFSA-N. The full InChI is InChI=1S/C17H30O3Si/c1-8-13(2)16-15(18)10-9-14(20-16)11-12-19-21(6,7)17(3,4)5/h8-10,13-14,16H,1,11-12H2,2-7H3/t13-,14+,16+/m1/s1.
What are the key properties of (2R,6S)-6-[(2R)-but-3-en-2-yl]-2-[2-[tert-butyl(dimethyl)silyl]oxyethyl]-2H-pyran-5-one?
(2R,6S)-6-[(2R)-but-3-en-2-yl]-2-[2-[tert-butyl(dimethyl)silyl]oxyethyl]-2H-pyran-5-one has a molecular weight of 310.51 g/mol, XLogP of 4.11, 6 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2R,6S)-6-[(2R)-but-3-en-2-yl]-2-[2-[tert-butyl(dimethyl)silyl]oxyethyl]-2H-pyran-5-one is sourced from PubChem (CID 23730308), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).