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

C13H24O4Si — CID 162400186

IUPAC(2R)-2-[[tert-butyl(dimethyl)silyl]oxymethyl]-4-methoxy-2,3-dihydropyran-6-one
SMILESCOC1=CC(=O)O[C@@H](CO[Si](C)(C)C(C)(C)C)C1
InChIInChI=1S/C13H24O4Si/c1-13(2,3)18(5,6)16-9-11-7-10(15-4)8-12(14)17-11/h8,11H,7,9H2,1-6H3/t11-/m1/s1
InChIKeyBULGWMBYKZOGGT-LLVKDONJSA-N
MW272.42 g/mol
LogP2.85
Rot. Bonds4

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

(2R)-2-[[tert-butyl(dimethyl)silyl]oxymethyl]-4-methoxy-2,3-dihydropyran-6-one (PubChem CID 162400186) has the molecular formula C13H24O4Si and a molecular weight of 272.42 g/mol. Its IUPAC name is (2R)-2-[[tert-butyl(dimethyl)silyl]oxymethyl]-4-methoxy-2,3-dihydropyran-6-one.

Molecular Properties

Compound Name(2R)-2-[[tert-butyl(dimethyl)silyl]oxymethyl]-4-methoxy-2,3-dihydropyran-6-one
PubChem CID162400186
Molecular FormulaC13H24O4Si
Molecular Weight272.42 g/mol
Exact Mass272.14
IUPAC Name(2R)-2-[[tert-butyl(dimethyl)silyl]oxymethyl]-4-methoxy-2,3-dihydropyran-6-one
SMILESCOC1=CC(=O)O[C@@H](CO[Si](C)(C)C(C)(C)C)C1
InChIInChI=1S/C13H24O4Si/c1-13(2,3)18(5,6)16-9-11-7-10(15-4)8-12(14)17-11/h8,11H,7,9H2,1-6H3/t11-/m1/s1
InChIKeyBULGWMBYKZOGGT-LLVKDONJSA-N
XLogP2.85
TPSA44.76 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500272.42
LogP ≤ 52.85
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

methyl (Z)-3-[(2R,3R)-3-[tert-butyl(dimethyl)silyl]oxyoxan-2-yl]prop-2-enoate
CID 16066828
methyl (E)-3-[(2R,3R)-3-[tert-butyl(dimethyl)silyl]oxyoxan-2-yl]prop-2-enoate
CID 12192990
methyl (E)-3-[(2R,3S)-3-[tert-butyl(dimethyl)silyl]oxyoxan-2-yl]prop-2-enoate
CID 14656184
methyl (Z)-3-[(2R,3S)-3-[tert-butyl(dimethyl)silyl]oxyoxan-2-yl]prop-2-enoate
CID 44397488
(2S)-2-[[tert-butyl(dimethyl)silyl]oxymethyl]-3-methyl-2H-furan-5-one
CID 10538149
(2R)-2-[[tert-butyl(dimethyl)silyl]oxymethyl]-2,3-dihydropyran-6-one
CID 10220446
(2R,3S)-3-[tert-butyl(dimethyl)silyl]oxy-2-methyl-2,3-dihydropyran-6-one
CID 10955748
methyl (E,4R,5R)-5,6-bis[[tert-butyl(dimethyl)silyl]oxy]-3-methoxy-4-methylhex-2-enoate
CID 24749922
methyl (E)-3-[(2S,3R)-3-[[tert-butyl(dimethyl)silyl]oxymethyl]oxiran-2-yl]prop-2-enoate
CID 71567018
6-[(2R)-3-[tert-butyl(dimethyl)silyl]oxy-2-hydroxypropyl]-2,2-dimethyl-1,3-dioxin-4-one
CID 101380245
[(2R)-1-[tert-butyl(dimethyl)silyl]oxy-4-methoxypent-4-en-2-yl] prop-2-enoate
CID 101839469
[(2R,3S,6S)-3-acetyloxy-6-(1-trimethylsilylpropa-1,2-dienyl)-3,6-dihydro-2H-pyran-2-yl]methyl acetate
CID 102355754

Frequently Asked Questions

What is the IUPAC name of (2R)-2-[[tert-butyl(dimethyl)silyl]oxymethyl]-4-methoxy-2,3-dihydropyran-6-one?
The IUPAC name of (2R)-2-[[tert-butyl(dimethyl)silyl]oxymethyl]-4-methoxy-2,3-dihydropyran-6-one (CID 162400186) is (2R)-2-[[tert-butyl(dimethyl)silyl]oxymethyl]-4-methoxy-2,3-dihydropyran-6-one.
What is the SMILES notation for (2R)-2-[[tert-butyl(dimethyl)silyl]oxymethyl]-4-methoxy-2,3-dihydropyran-6-one?
The canonical SMILES for (2R)-2-[[tert-butyl(dimethyl)silyl]oxymethyl]-4-methoxy-2,3-dihydropyran-6-one is COC1=CC(=O)O[C@@H](CO[Si](C)(C)C(C)(C)C)C1.
What is the InChIKey of (2R)-2-[[tert-butyl(dimethyl)silyl]oxymethyl]-4-methoxy-2,3-dihydropyran-6-one?
The InChIKey is BULGWMBYKZOGGT-LLVKDONJSA-N. The full InChI is InChI=1S/C13H24O4Si/c1-13(2,3)18(5,6)16-9-11-7-10(15-4)8-12(14)17-11/h8,11H,7,9H2,1-6H3/t11-/m1/s1.
What are the key properties of (2R)-2-[[tert-butyl(dimethyl)silyl]oxymethyl]-4-methoxy-2,3-dihydropyran-6-one?
(2R)-2-[[tert-butyl(dimethyl)silyl]oxymethyl]-4-methoxy-2,3-dihydropyran-6-one has a molecular weight of 272.42 g/mol, XLogP of 2.85, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-2-[[tert-butyl(dimethyl)silyl]oxymethyl]-4-methoxy-2,3-dihydropyran-6-one is sourced from PubChem (CID 162400186), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).