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

C14H26O4Si — CID 24770132

IUPAC(2R)-2-[2-[tert-butyl(dimethyl)silyl]oxyethyl]-4-methoxy-2,3-dihydropyran-6-one
SMILESCOC1=CC(=O)O[C@H](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/t11-/m1/s1
InChIKeyDNPDQMJXMXLVNG-LLVKDONJSA-N
MW286.44 g/mol
LogP3.24
Rot. Bonds5

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

(2R)-2-[2-[tert-butyl(dimethyl)silyl]oxyethyl]-4-methoxy-2,3-dihydropyran-6-one (PubChem CID 24770132) has the molecular formula C14H26O4Si and a molecular weight of 286.44 g/mol. Its IUPAC name is (2R)-2-[2-[tert-butyl(dimethyl)silyl]oxyethyl]-4-methoxy-2,3-dihydropyran-6-one.

Molecular Properties

Compound Name(2R)-2-[2-[tert-butyl(dimethyl)silyl]oxyethyl]-4-methoxy-2,3-dihydropyran-6-one
PubChem CID24770132
Molecular FormulaC14H26O4Si
Molecular Weight286.44 g/mol
Exact Mass286.16
IUPAC Name(2R)-2-[2-[tert-butyl(dimethyl)silyl]oxyethyl]-4-methoxy-2,3-dihydropyran-6-one
SMILESCOC1=CC(=O)O[C@H](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/t11-/m1/s1
InChIKeyDNPDQMJXMXLVNG-LLVKDONJSA-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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Frequently Asked Questions

What is the IUPAC name of (2R)-2-[2-[tert-butyl(dimethyl)silyl]oxyethyl]-4-methoxy-2,3-dihydropyran-6-one?
The IUPAC name of (2R)-2-[2-[tert-butyl(dimethyl)silyl]oxyethyl]-4-methoxy-2,3-dihydropyran-6-one (CID 24770132) is (2R)-2-[2-[tert-butyl(dimethyl)silyl]oxyethyl]-4-methoxy-2,3-dihydropyran-6-one.
What is the SMILES notation for (2R)-2-[2-[tert-butyl(dimethyl)silyl]oxyethyl]-4-methoxy-2,3-dihydropyran-6-one?
The canonical SMILES for (2R)-2-[2-[tert-butyl(dimethyl)silyl]oxyethyl]-4-methoxy-2,3-dihydropyran-6-one is COC1=CC(=O)O[C@H](CCO[Si](C)(C)C(C)(C)C)C1.
What is the InChIKey of (2R)-2-[2-[tert-butyl(dimethyl)silyl]oxyethyl]-4-methoxy-2,3-dihydropyran-6-one?
The InChIKey is DNPDQMJXMXLVNG-LLVKDONJSA-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/t11-/m1/s1.
What are the key properties of (2R)-2-[2-[tert-butyl(dimethyl)silyl]oxyethyl]-4-methoxy-2,3-dihydropyran-6-one?
(2R)-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 (2R)-2-[2-[tert-butyl(dimethyl)silyl]oxyethyl]-4-methoxy-2,3-dihydropyran-6-one is sourced from PubChem (CID 24770132), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).