2-[2-[tert-butyl(dimethyl)silyl]oxyethyl]-4-methoxy-2,3-dihydropyran-6-one

C14H26O4Si — CID 146156152

IUPAC2-[2-[tert-butyl(dimethyl)silyl]oxyethyl]-4-methoxy-2,3-dihydropyran-6-one
SMILESCOC1=CC(=O)OC(CCO[Si](C)(C)C(C)(C)C)C1
InChIInChI=1S/C14H26O4Si/c1-14(2,3)19(5,6)17-8-7-11-9-12(16-4)10-13(15)18-11/h10-11H,7-9H2,1-6H3
InChIKeyDNPDQMJXMXLVNG-UHFFFAOYSA-N
MW286.44 g/mol
LogP3.24
Rot. Bonds5

About 2-[2-[tert-butyl(dimethyl)silyl]oxyethyl]-4-methoxy-2,3-dihydropyran-6-one

2-[2-[tert-butyl(dimethyl)silyl]oxyethyl]-4-methoxy-2,3-dihydropyran-6-one (PubChem CID 146156152) has the molecular formula C14H26O4Si and a molecular weight of 286.44 g/mol. Its IUPAC name is 2-[2-[tert-butyl(dimethyl)silyl]oxyethyl]-4-methoxy-2,3-dihydropyran-6-one.

Molecular Properties

Compound Name2-[2-[tert-butyl(dimethyl)silyl]oxyethyl]-4-methoxy-2,3-dihydropyran-6-one
PubChem CID146156152
Molecular FormulaC14H26O4Si
Molecular Weight286.44 g/mol
Exact Mass286.16
IUPAC Name2-[2-[tert-butyl(dimethyl)silyl]oxyethyl]-4-methoxy-2,3-dihydropyran-6-one
SMILESCOC1=CC(=O)OC(CCO[Si](C)(C)C(C)(C)C)C1
InChIInChI=1S/C14H26O4Si/c1-14(2,3)19(5,6)17-8-7-11-9-12(16-4)10-13(15)18-11/h10-11H,7-9H2,1-6H3
InChIKeyDNPDQMJXMXLVNG-UHFFFAOYSA-N
XLogP3.24
TPSA44.76 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500286.44
LogP ≤ 53.24
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

(2S)-2-[2-[tert-butyl(dimethyl)silyl]oxyethyl]-2,3-dihydropyran-6-one
CID 11107972
(3S)-3-[(1S)-1,3-bis[[tert-butyl(dimethyl)silyl]oxy]propyl]-2,3-dihydropyran-6-one
CID 25186475
[6-[Tert-butyl(dimethyl)silyl]oxy-4-(3-methylbut-2-enoxy)hex-1-en-2-yl] acetate
CID 49831516
(2S)-2-[2-tri(propan-2-yl)silyloxyethyl]-2,3-dihydropyran-6-one
CID 53343689
2-[(1S)-1-[tert-butyl(dimethyl)silyl]oxyethyl]-3-methoxy-2H-furan-5-one
CID 134857738
6-[(2S)-4-[tert-butyl(dimethyl)silyl]oxy-2-hydroxybutyl]-2,2-dimethyl-1,3-dioxin-4-one
CID 134941017
6-[(2S)-2-[tert-butyl(dimethyl)silyl]oxypropyl]-4-methylpyran-2-one
CID 138969406
ethyl (E)-3-[tert-butyl(dimethyl)silyl]oxy-6-(oxiran-2-yl)hex-2-enoate
CID 138984022
ethyl (2E)-2-[6-[[tert-butyl(dimethyl)silyl]oxymethyl]oxan-2-ylidene]acetate
CID 138984028
(2R)-2-[[tert-butyl(dimethyl)silyl]oxymethyl]-4-methoxy-2,3-dihydropyran-6-one
CID 162400186
(2S,3S)-4-methoxy-2-methyl-3-triethylsilyloxy-2,3-dihydropyran-6-one
CID 44208300
6-Methyl-4-(trimethylsilyloxy)-5,6-dihydro-2H-pyran-2-one
CID 91696480

Frequently Asked Questions

What is the IUPAC name of 2-[2-[tert-butyl(dimethyl)silyl]oxyethyl]-4-methoxy-2,3-dihydropyran-6-one?
The IUPAC name of 2-[2-[tert-butyl(dimethyl)silyl]oxyethyl]-4-methoxy-2,3-dihydropyran-6-one (CID 146156152) is 2-[2-[tert-butyl(dimethyl)silyl]oxyethyl]-4-methoxy-2,3-dihydropyran-6-one.
What is the SMILES notation for 2-[2-[tert-butyl(dimethyl)silyl]oxyethyl]-4-methoxy-2,3-dihydropyran-6-one?
The canonical SMILES for 2-[2-[tert-butyl(dimethyl)silyl]oxyethyl]-4-methoxy-2,3-dihydropyran-6-one is COC1=CC(=O)OC(CCO[Si](C)(C)C(C)(C)C)C1.
What is the InChIKey of 2-[2-[tert-butyl(dimethyl)silyl]oxyethyl]-4-methoxy-2,3-dihydropyran-6-one?
The InChIKey is DNPDQMJXMXLVNG-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H26O4Si/c1-14(2,3)19(5,6)17-8-7-11-9-12(16-4)10-13(15)18-11/h10-11H,7-9H2,1-6H3.
What are the key properties of 2-[2-[tert-butyl(dimethyl)silyl]oxyethyl]-4-methoxy-2,3-dihydropyran-6-one?
2-[2-[tert-butyl(dimethyl)silyl]oxyethyl]-4-methoxy-2,3-dihydropyran-6-one has a molecular weight of 286.44 g/mol, XLogP of 3.24, 5 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-[tert-butyl(dimethyl)silyl]oxyethyl]-4-methoxy-2,3-dihydropyran-6-one is sourced from PubChem (CID 146156152), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).