2-[(E,2R,3S)-2-propan-2-yl-3-triethylsilyloxyhex-4-enoyl]cyclopentan-1-one

C20H36O3Si — CID 135019356

IUPAC2-[(E,2R,3S)-2-propan-2-yl-3-triethylsilyloxyhex-4-enoyl]cyclopentan-1-one
SMILESC/C=C/[C@H](O[Si](CC)(CC)CC)[C@H](C(=O)C1CCCC1=O)C(C)C
InChIInChI=1S/C20H36O3Si/c1-7-12-18(23-24(8-2,9-3)10-4)19(15(5)6)20(22)16-13-11-14-17(16)21/h7,12,15-16,18-19H,8-11,13-14H2,1-6H3/b12-7+/t16?,18-,19+/m0/s1
InChIKeyQKKWROVXGDQTTA-BPUYNUGWSA-N
MW352.59 g/mol
LogP5.16
Rot. Bonds10

About 2-[(E,2R,3S)-2-propan-2-yl-3-triethylsilyloxyhex-4-enoyl]cyclopentan-1-one

2-[(E,2R,3S)-2-propan-2-yl-3-triethylsilyloxyhex-4-enoyl]cyclopentan-1-one (PubChem CID 135019356) has the molecular formula C20H36O3Si and a molecular weight of 352.59 g/mol. Its IUPAC name is 2-[(E,2R,3S)-2-propan-2-yl-3-triethylsilyloxyhex-4-enoyl]cyclopentan-1-one.

Molecular Properties

Compound Name2-[(E,2R,3S)-2-propan-2-yl-3-triethylsilyloxyhex-4-enoyl]cyclopentan-1-one
PubChem CID135019356
Molecular FormulaC20H36O3Si
Molecular Weight352.59 g/mol
Exact Mass352.24
IUPAC Name2-[(E,2R,3S)-2-propan-2-yl-3-triethylsilyloxyhex-4-enoyl]cyclopentan-1-one
SMILESC/C=C/[C@H](O[Si](CC)(CC)CC)[C@H](C(=O)C1CCCC1=O)C(C)C
InChIInChI=1S/C20H36O3Si/c1-7-12-18(23-24(8-2,9-3)10-4)19(15(5)6)20(22)16-13-11-14-17(16)21/h7,12,15-16,18-19H,8-11,13-14H2,1-6H3/b12-7+/t16?,18-,19+/m0/s1
InChIKeyQKKWROVXGDQTTA-BPUYNUGWSA-N
XLogP5.16
TPSA43.37 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds10
Heavy Atoms24
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500352.59
LogP ≤ 55.16
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'beta-keto/anhydride', 'substructure': 'N/A'}, {'alert_name': 'heavy_metal', 'substructure': 'N/A'}, {'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

Analyze 2-[(E,2R,3S)-2-propan-2-yl-3-triethylsilyloxyhex-4-enoyl]cyclopentan-1-one with MolForge

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Launch Full Analysis

Related Compounds

1-[(1R,2S)-3-[tert-butyl(dimethyl)silyl]oxy-2-[(Z)-pent-2-enyl]cyclopentyl]propan-2-one
CID 11301783
(12R,13R,15R)-13-[tert-butyl(dimethyl)silyl]oxy-15-propan-2-ylbicyclo[10.2.1]pentadec-1(14)-en-3-one
CID 11372788
2-[(E)-3-[tert-butyl(dimethyl)silyl]oxyhex-4-enoyl]cyclopentan-1-one
CID 11529682
(5R,6R,10R)-10-[tert-butyl(dimethyl)silyl]oxy-6-methylspiro[4.5]dec-7-en-4-one
CID 11645038
(5R,6R,9R,10R)-6-methyl-9-propan-2-yl-10-triethylsilyloxyspiro[4.5]dec-7-en-4-one
CID 25022823
(3aR,4R,6S,9E,12aR)-4-hydroxy-6,12a-dimethyl-8-triethylsilyloxy-1,2,3a,4,5,6,7,8,11,12-decahydrocyclopenta[11]annulen-3-one
CID 25112425
2-[(E,2R,3R)-1-hydroxy-2-propan-2-yl-3-triethylsilyloxyhex-4-enyl]cyclopentan-1-one
CID 44516075
2-[(E,2S,3R)-2-propan-2-yl-3-triethylsilyloxyhex-4-enoyl]cyclopentan-1-one
CID 44516375
(5S,6S,9S,10S)-6-methyl-9-propan-2-yl-10-triethylsilyloxyspiro[4.5]dec-7-en-4-one
CID 44516379
(3aS,7R,8S,8aS)-7-propan-2-yl-8-triethylsilyloxy-4-(trimethylsilylmethyl)-3,3a,6,7,8,8a-hexahydro-2H-azulen-1-one
CID 44521475
(2S,3R,6S)-2-[(1R,2E)-1-[tert-butyl(dimethyl)silyl]oxy-2,6-dimethylocta-2,7-dienyl]-6-methyl-3-propan-2-ylcyclohexan-1-one
CID 134834299
(5S)-4-[(1S)-1-[tert-butyl(dimethyl)silyl]oxy-2-methylprop-2-enyl]-2-methyl-5-propan-2-yl-3-prop-2-enylcyclohex-2-en-1-one
CID 134865422

Frequently Asked Questions

What is the IUPAC name of 2-[(E,2R,3S)-2-propan-2-yl-3-triethylsilyloxyhex-4-enoyl]cyclopentan-1-one?
The IUPAC name of 2-[(E,2R,3S)-2-propan-2-yl-3-triethylsilyloxyhex-4-enoyl]cyclopentan-1-one (CID 135019356) is 2-[(E,2R,3S)-2-propan-2-yl-3-triethylsilyloxyhex-4-enoyl]cyclopentan-1-one.
What is the SMILES notation for 2-[(E,2R,3S)-2-propan-2-yl-3-triethylsilyloxyhex-4-enoyl]cyclopentan-1-one?
The canonical SMILES for 2-[(E,2R,3S)-2-propan-2-yl-3-triethylsilyloxyhex-4-enoyl]cyclopentan-1-one is C/C=C/[C@H](O[Si](CC)(CC)CC)[C@H](C(=O)C1CCCC1=O)C(C)C.
What is the InChIKey of 2-[(E,2R,3S)-2-propan-2-yl-3-triethylsilyloxyhex-4-enoyl]cyclopentan-1-one?
The InChIKey is QKKWROVXGDQTTA-BPUYNUGWSA-N. The full InChI is InChI=1S/C20H36O3Si/c1-7-12-18(23-24(8-2,9-3)10-4)19(15(5)6)20(22)16-13-11-14-17(16)21/h7,12,15-16,18-19H,8-11,13-14H2,1-6H3/b12-7+/t16?,18-,19+/m0/s1.
What are the key properties of 2-[(E,2R,3S)-2-propan-2-yl-3-triethylsilyloxyhex-4-enoyl]cyclopentan-1-one?
2-[(E,2R,3S)-2-propan-2-yl-3-triethylsilyloxyhex-4-enoyl]cyclopentan-1-one has a molecular weight of 352.59 g/mol, XLogP of 5.16, 10 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(E,2R,3S)-2-propan-2-yl-3-triethylsilyloxyhex-4-enoyl]cyclopentan-1-one is sourced from PubChem (CID 135019356), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).