(2S)-2-[(1R)-1-[tert-butyl(dimethyl)silyl]oxyethyl]-2,3-dihydropyran-6-one

C13H24O3Si — CID 135020560

IUPAC(2S)-2-[(1R)-1-[tert-butyl(dimethyl)silyl]oxyethyl]-2,3-dihydropyran-6-one
SMILESC[C@@H](O[Si](C)(C)C(C)(C)C)[C@@H]1CC=CC(=O)O1
InChIInChI=1S/C13H24O3Si/c1-10(11-8-7-9-12(14)15-11)16-17(5,6)13(2,3)4/h7,9-11H,8H2,1-6H3/t10-,11+/m1/s1
InChIKeyQMXDTQIXWWURAD-MNOVXSKESA-N
MW256.42 g/mol
LogP3.27
Rot. Bonds3

About (2S)-2-[(1R)-1-[tert-butyl(dimethyl)silyl]oxyethyl]-2,3-dihydropyran-6-one

(2S)-2-[(1R)-1-[tert-butyl(dimethyl)silyl]oxyethyl]-2,3-dihydropyran-6-one (PubChem CID 135020560) has the molecular formula C13H24O3Si and a molecular weight of 256.42 g/mol. Its IUPAC name is (2S)-2-[(1R)-1-[tert-butyl(dimethyl)silyl]oxyethyl]-2,3-dihydropyran-6-one.

Molecular Properties

Compound Name(2S)-2-[(1R)-1-[tert-butyl(dimethyl)silyl]oxyethyl]-2,3-dihydropyran-6-one
PubChem CID135020560
Molecular FormulaC13H24O3Si
Molecular Weight256.42 g/mol
Exact Mass256.15
IUPAC Name(2S)-2-[(1R)-1-[tert-butyl(dimethyl)silyl]oxyethyl]-2,3-dihydropyran-6-one
SMILESC[C@@H](O[Si](C)(C)C(C)(C)C)[C@@H]1CC=CC(=O)O1
InChIInChI=1S/C13H24O3Si/c1-10(11-8-7-9-12(14)15-11)16-17(5,6)13(2,3)4/h7,9-11H,8H2,1-6H3/t10-,11+/m1/s1
InChIKeyQMXDTQIXWWURAD-MNOVXSKESA-N
XLogP3.27
TPSA35.53 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500256.42
LogP ≤ 53.27
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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)-4-[(2R,3S)-3-[tert-butyl(dimethyl)silyl]oxyoxan-2-yl]but-2-enoate
CID 44397378
(E)-3-[(2R,3R)-3-[tert-butyl(dimethyl)silyl]oxyoxan-2-yl]prop-2-enoic acid
CID 12192991
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
ethyl (E)-5-[tert-butyl(dimethyl)silyl]oxypent-2-enoate
CID 5468981
Fur020
CID 9992141
ethyl (E,5R)-5-[tert-butyl(dimethyl)silyl]oxy-6,6,6-trifluorohex-2-enoate
CID 11681414
methyl (E)-4-[tert-butyl(dimethyl)silyl]oxypent-2-enoate
CID 13838010
methyl (E,4S)-4-[tert-butyl(dimethyl)silyl]oxypent-2-enoate
CID 13838011

Frequently Asked Questions

What is the IUPAC name of (2S)-2-[(1R)-1-[tert-butyl(dimethyl)silyl]oxyethyl]-2,3-dihydropyran-6-one?
The IUPAC name of (2S)-2-[(1R)-1-[tert-butyl(dimethyl)silyl]oxyethyl]-2,3-dihydropyran-6-one (CID 135020560) is (2S)-2-[(1R)-1-[tert-butyl(dimethyl)silyl]oxyethyl]-2,3-dihydropyran-6-one.
What is the SMILES notation for (2S)-2-[(1R)-1-[tert-butyl(dimethyl)silyl]oxyethyl]-2,3-dihydropyran-6-one?
The canonical SMILES for (2S)-2-[(1R)-1-[tert-butyl(dimethyl)silyl]oxyethyl]-2,3-dihydropyran-6-one is C[C@@H](O[Si](C)(C)C(C)(C)C)[C@@H]1CC=CC(=O)O1.
What is the InChIKey of (2S)-2-[(1R)-1-[tert-butyl(dimethyl)silyl]oxyethyl]-2,3-dihydropyran-6-one?
The InChIKey is QMXDTQIXWWURAD-MNOVXSKESA-N. The full InChI is InChI=1S/C13H24O3Si/c1-10(11-8-7-9-12(14)15-11)16-17(5,6)13(2,3)4/h7,9-11H,8H2,1-6H3/t10-,11+/m1/s1.
What are the key properties of (2S)-2-[(1R)-1-[tert-butyl(dimethyl)silyl]oxyethyl]-2,3-dihydropyran-6-one?
(2S)-2-[(1R)-1-[tert-butyl(dimethyl)silyl]oxyethyl]-2,3-dihydropyran-6-one has a molecular weight of 256.42 g/mol, XLogP of 3.27, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-2-[(1R)-1-[tert-butyl(dimethyl)silyl]oxyethyl]-2,3-dihydropyran-6-one is sourced from PubChem (CID 135020560), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).