2-[(E)-3-[tert-butyl(dimethyl)silyl]oxyhex-4-enoyl]cyclopentan-1-one

C17H30O3Si — CID 11529682

IUPAC2-[(E)-3-[tert-butyl(dimethyl)silyl]oxyhex-4-enoyl]cyclopentan-1-one
SMILESC/C=C/C(CC(=O)C1CCCC1=O)O[Si](C)(C)C(C)(C)C
InChIInChI=1S/C17H30O3Si/c1-7-9-13(20-21(5,6)17(2,3)4)12-16(19)14-10-8-11-15(14)18/h7,9,13-14H,8,10-12H2,1-6H3/b9-7+
InChIKeyDKHODZIOXLSGEM-VQHVLOKHSA-N
MW310.51 g/mol
LogP4.28
Rot. Bonds6

About 2-[(E)-3-[tert-butyl(dimethyl)silyl]oxyhex-4-enoyl]cyclopentan-1-one

2-[(E)-3-[tert-butyl(dimethyl)silyl]oxyhex-4-enoyl]cyclopentan-1-one (PubChem CID 11529682) has the molecular formula C17H30O3Si and a molecular weight of 310.51 g/mol. Its IUPAC name is 2-[(E)-3-[tert-butyl(dimethyl)silyl]oxyhex-4-enoyl]cyclopentan-1-one.

Molecular Properties

Compound Name2-[(E)-3-[tert-butyl(dimethyl)silyl]oxyhex-4-enoyl]cyclopentan-1-one
PubChem CID11529682
Molecular FormulaC17H30O3Si
Molecular Weight310.51 g/mol
Exact Mass310.20
IUPAC Name2-[(E)-3-[tert-butyl(dimethyl)silyl]oxyhex-4-enoyl]cyclopentan-1-one
SMILESC/C=C/C(CC(=O)C1CCCC1=O)O[Si](C)(C)C(C)(C)C
InChIInChI=1S/C17H30O3Si/c1-7-9-13(20-21(5,6)17(2,3)4)12-16(19)14-10-8-11-15(14)18/h7,9,13-14H,8,10-12H2,1-6H3/b9-7+
InChIKeyDKHODZIOXLSGEM-VQHVLOKHSA-N
XLogP4.28
TPSA43.37 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500310.51
LogP ≤ 54.28
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)-3-[tert-butyl(dimethyl)silyl]oxyhex-4-enoyl]cyclopentan-1-one with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

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
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
(4S,5S)-4-[tert-butyl(dimethyl)silyl]oxy-5-methyl-3-prop-2-enylcyclohept-2-en-1-one
CID 134967159
2-[(Z)-3-hydroxy-7-trimethylsilylhept-4-en-6-ynoyl]cyclopentan-1-one
CID 135015874
2-[(Z)-3-[tert-butyl(dimethyl)silyl]oxy-1-hydroxyundec-4-en-6-ynyl]cyclopentan-1-one
CID 135016357
2-[(E,2S,3S)-1-hydroxy-2-propan-2-yl-3-triethylsilyloxyhex-4-enyl]cyclopentan-1-one
CID 135019354
2-[(E,2R,3S)-2-propan-2-yl-3-triethylsilyloxyhex-4-enoyl]cyclopentan-1-one
CID 135019356
2-[(E,3R)-3-[tert-butyl(dimethyl)silyl]oxy-1-hydroxyhex-4-enyl]cyclopentan-1-one
CID 135019853
2-[(E)-3-[tert-butyl(dimethyl)silyl]oxy-1-hydroxyhex-4-enyl]cyclopentan-1-one
CID 135019914
5-[tert-butyl(dimethyl)silyl]oxy-3,3a,4,5-tetrahydro-2H-pentalen-1-one
CID 12586043
3-[(E)-3-[tert-butyl(dimethyl)silyl]oxy-5-cyclopentylpent-1-enyl]cyclohexan-1-one
CID 19042230

Frequently Asked Questions

What is the IUPAC name of 2-[(E)-3-[tert-butyl(dimethyl)silyl]oxyhex-4-enoyl]cyclopentan-1-one?
The IUPAC name of 2-[(E)-3-[tert-butyl(dimethyl)silyl]oxyhex-4-enoyl]cyclopentan-1-one (CID 11529682) is 2-[(E)-3-[tert-butyl(dimethyl)silyl]oxyhex-4-enoyl]cyclopentan-1-one.
What is the SMILES notation for 2-[(E)-3-[tert-butyl(dimethyl)silyl]oxyhex-4-enoyl]cyclopentan-1-one?
The canonical SMILES for 2-[(E)-3-[tert-butyl(dimethyl)silyl]oxyhex-4-enoyl]cyclopentan-1-one is C/C=C/C(CC(=O)C1CCCC1=O)O[Si](C)(C)C(C)(C)C.
What is the InChIKey of 2-[(E)-3-[tert-butyl(dimethyl)silyl]oxyhex-4-enoyl]cyclopentan-1-one?
The InChIKey is DKHODZIOXLSGEM-VQHVLOKHSA-N. The full InChI is InChI=1S/C17H30O3Si/c1-7-9-13(20-21(5,6)17(2,3)4)12-16(19)14-10-8-11-15(14)18/h7,9,13-14H,8,10-12H2,1-6H3/b9-7+.
What are the key properties of 2-[(E)-3-[tert-butyl(dimethyl)silyl]oxyhex-4-enoyl]cyclopentan-1-one?
2-[(E)-3-[tert-butyl(dimethyl)silyl]oxyhex-4-enoyl]cyclopentan-1-one has a molecular weight of 310.51 g/mol, XLogP of 4.28, 6 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(E)-3-[tert-butyl(dimethyl)silyl]oxyhex-4-enoyl]cyclopentan-1-one is sourced from PubChem (CID 11529682), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).