(E)-1-[(2R,5S,6S)-6-[2-[tert-butyl(dimethyl)silyl]oxyethyl]-5-methyloxan-2-yl]pent-3-en-2-one

C19H36O3Si — CID 11267829

IUPAC(E)-1-[(2R,5S,6S)-6-[2-[tert-butyl(dimethyl)silyl]oxyethyl]-5-methyloxan-2-yl]pent-3-en-2-one
SMILESC/C=C/C(=O)C[C@H]1CC[C@H](C)[C@H](CCO[Si](C)(C)C(C)(C)C)O1
InChIInChI=1S/C19H36O3Si/c1-8-9-16(20)14-17-11-10-15(2)18(22-17)12-13-21-23(6,7)19(3,4)5/h8-9,15,17-18H,10-14H2,1-7H3/b9-8+/t15-,17+,18-/m0/s1
InChIKeyJZNQFJIEEZAWRH-VIDSBYBWSA-N
MW340.58 g/mol
LogP5.12
Rot. Bonds7

About (E)-1-[(2R,5S,6S)-6-[2-[tert-butyl(dimethyl)silyl]oxyethyl]-5-methyloxan-2-yl]pent-3-en-2-one

(E)-1-[(2R,5S,6S)-6-[2-[tert-butyl(dimethyl)silyl]oxyethyl]-5-methyloxan-2-yl]pent-3-en-2-one (PubChem CID 11267829) has the molecular formula C19H36O3Si and a molecular weight of 340.58 g/mol. Its IUPAC name is (E)-1-[(2R,5S,6S)-6-[2-[tert-butyl(dimethyl)silyl]oxyethyl]-5-methyloxan-2-yl]pent-3-en-2-one.

Molecular Properties

Compound Name(E)-1-[(2R,5S,6S)-6-[2-[tert-butyl(dimethyl)silyl]oxyethyl]-5-methyloxan-2-yl]pent-3-en-2-one
PubChem CID11267829
Molecular FormulaC19H36O3Si
Molecular Weight340.58 g/mol
Exact Mass340.24
IUPAC Name(E)-1-[(2R,5S,6S)-6-[2-[tert-butyl(dimethyl)silyl]oxyethyl]-5-methyloxan-2-yl]pent-3-en-2-one
SMILESC/C=C/C(=O)C[C@H]1CC[C@H](C)[C@H](CCO[Si](C)(C)C(C)(C)C)O1
InChIInChI=1S/C19H36O3Si/c1-8-9-16(20)14-17-11-10-15(2)18(22-17)12-13-21-23(6,7)19(3,4)5/h8-9,15,17-18H,10-14H2,1-7H3/b9-8+/t15-,17+,18-/m0/s1
InChIKeyJZNQFJIEEZAWRH-VIDSBYBWSA-N
XLogP5.12
TPSA35.53 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms23
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500340.58
LogP ≤ 55.12
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'heavy_metal', 'substructure': 'N/A'}, {'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}

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Launch Full Analysis

Related Compounds

1-[(2S,3R,6S)-6-prop-2-enyl-2-[2-tri(propan-2-yl)silyloxyethyl]oxan-3-yl]ethanone
CID 11624849
2-[(2R,3S,6S)-3-methyl-6-[(E,2S)-6-methyl-2-tri(propan-2-yl)silyloxyhept-3-enyl]oxan-2-yl]acetaldehyde
CID 16742608
(Z,1S)-1-cyclohexyl-1-triethylsilyloxypent-3-en-2-one
CID 134854811
(2R)-5,6-dimethyl-2-[(2S,3R)-4-methyl-3-triethylsilyloxypentan-2-yl]-2,3-dihydropyran-4-one
CID 134969811
(4S)-4-[(2R)-2-[tert-butyl(dimethyl)silyl]oxypropyl]cyclohex-2-en-1-one
CID 135039907
1-[(2S,6R)-6-[(E,2S,5S,6R)-6-[tert-butyl(dimethyl)silyl]oxy-2,5-dimethyl-8-tri(propan-2-yl)silyloct-3-en-7-ynyl]oxan-2-yl]propan-2-one
CID 138980512
(E,4S)-4-[tert-butyl(dimethyl)silyl]oxy-1-cyclohexyldodec-2-en-1-one
CID 10023579
(3R,4S,5S,6S)-4-[tert-butyl(dimethyl)silyl]oxy-3,5-dimethyl-6-(4-methyl-2-oxopent-3-enyl)oxan-2-one
CID 10915231
(3R,4R,5S,6S)-4-[tert-butyl(dimethyl)silyl]oxy-3,5-dimethyl-6-(4-methyl-2-oxopent-3-enyl)oxan-2-one
CID 59015196
(E)-1-[(2S)-5-methyl-6-(2-oxopropyl)oxan-2-yl]pent-3-en-2-one
CID 59456476
3-Ethoxy-6-[5-[hydroxy(dimethyl)silyl]-5-methylhexyl]cyclohex-2-en-1-one
CID 70827515
4-[(2R)-1-[tert-butyl(dimethyl)silyl]oxy-3-methylbutan-2-yl]cyclohex-2-en-1-one
CID 10881015

Frequently Asked Questions

What is the IUPAC name of (E)-1-[(2R,5S,6S)-6-[2-[tert-butyl(dimethyl)silyl]oxyethyl]-5-methyloxan-2-yl]pent-3-en-2-one?
The IUPAC name of (E)-1-[(2R,5S,6S)-6-[2-[tert-butyl(dimethyl)silyl]oxyethyl]-5-methyloxan-2-yl]pent-3-en-2-one (CID 11267829) is (E)-1-[(2R,5S,6S)-6-[2-[tert-butyl(dimethyl)silyl]oxyethyl]-5-methyloxan-2-yl]pent-3-en-2-one.
What is the SMILES notation for (E)-1-[(2R,5S,6S)-6-[2-[tert-butyl(dimethyl)silyl]oxyethyl]-5-methyloxan-2-yl]pent-3-en-2-one?
The canonical SMILES for (E)-1-[(2R,5S,6S)-6-[2-[tert-butyl(dimethyl)silyl]oxyethyl]-5-methyloxan-2-yl]pent-3-en-2-one is C/C=C/C(=O)C[C@H]1CC[C@H](C)[C@H](CCO[Si](C)(C)C(C)(C)C)O1.
What is the InChIKey of (E)-1-[(2R,5S,6S)-6-[2-[tert-butyl(dimethyl)silyl]oxyethyl]-5-methyloxan-2-yl]pent-3-en-2-one?
The InChIKey is JZNQFJIEEZAWRH-VIDSBYBWSA-N. The full InChI is InChI=1S/C19H36O3Si/c1-8-9-16(20)14-17-11-10-15(2)18(22-17)12-13-21-23(6,7)19(3,4)5/h8-9,15,17-18H,10-14H2,1-7H3/b9-8+/t15-,17+,18-/m0/s1.
What are the key properties of (E)-1-[(2R,5S,6S)-6-[2-[tert-butyl(dimethyl)silyl]oxyethyl]-5-methyloxan-2-yl]pent-3-en-2-one?
(E)-1-[(2R,5S,6S)-6-[2-[tert-butyl(dimethyl)silyl]oxyethyl]-5-methyloxan-2-yl]pent-3-en-2-one has a molecular weight of 340.58 g/mol, XLogP of 5.12, 7 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (E)-1-[(2R,5S,6S)-6-[2-[tert-butyl(dimethyl)silyl]oxyethyl]-5-methyloxan-2-yl]pent-3-en-2-one is sourced from PubChem (CID 11267829), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).