(2S,3S)-3-[tert-butyl(dimethyl)silyl]oxy-2-ethenyl-2,3-dihydropyran-6-one

C13H22O3Si — CID 138963360

IUPAC(2S,3S)-3-[tert-butyl(dimethyl)silyl]oxy-2-ethenyl-2,3-dihydropyran-6-one
SMILESC=C[C@@H]1OC(=O)C=C[C@@H]1O[Si](C)(C)C(C)(C)C
InChIInChI=1S/C13H22O3Si/c1-7-10-11(8-9-12(14)15-10)16-17(5,6)13(2,3)4/h7-11H,1H2,2-6H3/t10-,11-/m0/s1
InChIKeyGMFCSQMPWJOZCW-QWRGUYRKSA-N
MW254.40 g/mol
LogP3.04
Rot. Bonds3

About (2S,3S)-3-[tert-butyl(dimethyl)silyl]oxy-2-ethenyl-2,3-dihydropyran-6-one

(2S,3S)-3-[tert-butyl(dimethyl)silyl]oxy-2-ethenyl-2,3-dihydropyran-6-one (PubChem CID 138963360) has the molecular formula C13H22O3Si and a molecular weight of 254.40 g/mol. Its IUPAC name is (2S,3S)-3-[tert-butyl(dimethyl)silyl]oxy-2-ethenyl-2,3-dihydropyran-6-one.

Molecular Properties

Compound Name(2S,3S)-3-[tert-butyl(dimethyl)silyl]oxy-2-ethenyl-2,3-dihydropyran-6-one
PubChem CID138963360
Molecular FormulaC13H22O3Si
Molecular Weight254.40 g/mol
Exact Mass254.13
IUPAC Name(2S,3S)-3-[tert-butyl(dimethyl)silyl]oxy-2-ethenyl-2,3-dihydropyran-6-one
SMILESC=C[C@@H]1OC(=O)C=C[C@@H]1O[Si](C)(C)C(C)(C)C
InChIInChI=1S/C13H22O3Si/c1-7-10-11(8-9-12(14)15-10)16-17(5,6)13(2,3)4/h7-11H,1H2,2-6H3/t10-,11-/m0/s1
InChIKeyGMFCSQMPWJOZCW-QWRGUYRKSA-N
XLogP3.04
TPSA35.53 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500254.40
LogP ≤ 53.04
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

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
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
ethyl (2Z,4E,7S,8E)-7-[tert-butyl(dimethyl)silyl]oxy-10-oxodeca-2,4,8-trienoate
CID 11186803
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
methyl (Z)-4-[tert-butyl(dimethyl)silyl]oxypent-2-enoate
CID 134907379

Frequently Asked Questions

What is the IUPAC name of (2S,3S)-3-[tert-butyl(dimethyl)silyl]oxy-2-ethenyl-2,3-dihydropyran-6-one?
The IUPAC name of (2S,3S)-3-[tert-butyl(dimethyl)silyl]oxy-2-ethenyl-2,3-dihydropyran-6-one (CID 138963360) is (2S,3S)-3-[tert-butyl(dimethyl)silyl]oxy-2-ethenyl-2,3-dihydropyran-6-one.
What is the SMILES notation for (2S,3S)-3-[tert-butyl(dimethyl)silyl]oxy-2-ethenyl-2,3-dihydropyran-6-one?
The canonical SMILES for (2S,3S)-3-[tert-butyl(dimethyl)silyl]oxy-2-ethenyl-2,3-dihydropyran-6-one is C=C[C@@H]1OC(=O)C=C[C@@H]1O[Si](C)(C)C(C)(C)C.
What is the InChIKey of (2S,3S)-3-[tert-butyl(dimethyl)silyl]oxy-2-ethenyl-2,3-dihydropyran-6-one?
The InChIKey is GMFCSQMPWJOZCW-QWRGUYRKSA-N. The full InChI is InChI=1S/C13H22O3Si/c1-7-10-11(8-9-12(14)15-10)16-17(5,6)13(2,3)4/h7-11H,1H2,2-6H3/t10-,11-/m0/s1.
What are the key properties of (2S,3S)-3-[tert-butyl(dimethyl)silyl]oxy-2-ethenyl-2,3-dihydropyran-6-one?
(2S,3S)-3-[tert-butyl(dimethyl)silyl]oxy-2-ethenyl-2,3-dihydropyran-6-one has a molecular weight of 254.40 g/mol, XLogP of 3.04, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2S,3S)-3-[tert-butyl(dimethyl)silyl]oxy-2-ethenyl-2,3-dihydropyran-6-one is sourced from PubChem (CID 138963360), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).