3-[3-[tert-butyl(dimethyl)silyl]oxy-5-cyclopentylpent-1-enyl]cyclohexan-1-one

C22H40O2Si — CID 54316896

IUPAC3-[3-[tert-butyl(dimethyl)silyl]oxy-5-cyclopentylpent-1-enyl]cyclohexan-1-one
SMILESCC(C)(C)[Si](C)(C)OC(C=CC1CCCC(=O)C1)CCC1CCCC1
InChIInChI=1S/C22H40O2Si/c1-22(2,3)25(4,5)24-21(15-13-18-9-6-7-10-18)16-14-19-11-8-12-20(23)17-19/h14,16,18-19,21H,6-13,15,17H2,1-5H3
InChIKeySOVWYTICDLIJQG-UHFFFAOYSA-N
MW364.65 g/mol
LogP6.66
Rot. Bonds7

About 3-[3-[tert-butyl(dimethyl)silyl]oxy-5-cyclopentylpent-1-enyl]cyclohexan-1-one

3-[3-[tert-butyl(dimethyl)silyl]oxy-5-cyclopentylpent-1-enyl]cyclohexan-1-one (PubChem CID 54316896) has the molecular formula C22H40O2Si and a molecular weight of 364.65 g/mol. Its IUPAC name is 3-[3-[tert-butyl(dimethyl)silyl]oxy-5-cyclopentylpent-1-enyl]cyclohexan-1-one.

Molecular Properties

Compound Name3-[3-[tert-butyl(dimethyl)silyl]oxy-5-cyclopentylpent-1-enyl]cyclohexan-1-one
PubChem CID54316896
Molecular FormulaC22H40O2Si
Molecular Weight364.65 g/mol
Exact Mass364.28
IUPAC Name3-[3-[tert-butyl(dimethyl)silyl]oxy-5-cyclopentylpent-1-enyl]cyclohexan-1-one
SMILESCC(C)(C)[Si](C)(C)OC(C=CC1CCCC(=O)C1)CCC1CCCC1
InChIInChI=1S/C22H40O2Si/c1-22(2,3)25(4,5)24-21(15-13-18-9-6-7-10-18)16-14-19-11-8-12-20(23)17-19/h14,16,18-19,21H,6-13,15,17H2,1-5H3
InChIKeySOVWYTICDLIJQG-UHFFFAOYSA-N
XLogP6.66
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms25
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500364.65
LogP ≤ 56.66
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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

(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
2-[(E,2S,3R)-2-propan-2-yl-3-triethylsilyloxyhex-4-enoyl]cyclopentan-1-one
CID 44516375
(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
4-[(4S)-4-[tert-butyl(dimethyl)silyl]oxy-2,6,6-trimethylcyclohex-2-en-1-yl]butan-2-one
CID 134870496
(5S)-2-methyl-5-prop-1-en-2-yl-3-[tri(propan-2-yl)silyloxymethyl]cyclohex-2-en-1-one
CID 134945473
2-[(E,2R,3S)-2-propan-2-yl-3-triethylsilyloxyhex-4-enoyl]cyclopentan-1-one
CID 135019356
1-cyclohexylprop-2-enoxy-[(2E,5E)-hepta-2,5-dien-4-yl]oxy-di(propan-2-yl)silane
CID 135079746
(E,4S)-4-[tert-butyl(dimethyl)silyl]oxy-1-cyclohexyldodec-2-en-1-one
CID 10023579
3-[(E)-3-[tert-butyl(dimethyl)silyl]oxy-2-(2-trimethylsilylethynyl)oct-1-enyl]cyclopentan-1-one
CID 10693455
1-[(1S)-4-[(1R)-1-[tert-butyl(dimethyl)silyl]oxyheptyl]cyclohex-3-en-1-yl]ethanone
CID 101675745
1-[(1S)-4-[(1R)-1-trimethylsilyloxyheptyl]cyclohex-3-en-1-yl]ethanone
CID 101675748

Frequently Asked Questions

What is the IUPAC name of 3-[3-[tert-butyl(dimethyl)silyl]oxy-5-cyclopentylpent-1-enyl]cyclohexan-1-one?
The IUPAC name of 3-[3-[tert-butyl(dimethyl)silyl]oxy-5-cyclopentylpent-1-enyl]cyclohexan-1-one (CID 54316896) is 3-[3-[tert-butyl(dimethyl)silyl]oxy-5-cyclopentylpent-1-enyl]cyclohexan-1-one.
What is the SMILES notation for 3-[3-[tert-butyl(dimethyl)silyl]oxy-5-cyclopentylpent-1-enyl]cyclohexan-1-one?
The canonical SMILES for 3-[3-[tert-butyl(dimethyl)silyl]oxy-5-cyclopentylpent-1-enyl]cyclohexan-1-one is CC(C)(C)[Si](C)(C)OC(C=CC1CCCC(=O)C1)CCC1CCCC1.
What is the InChIKey of 3-[3-[tert-butyl(dimethyl)silyl]oxy-5-cyclopentylpent-1-enyl]cyclohexan-1-one?
The InChIKey is SOVWYTICDLIJQG-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H40O2Si/c1-22(2,3)25(4,5)24-21(15-13-18-9-6-7-10-18)16-14-19-11-8-12-20(23)17-19/h14,16,18-19,21H,6-13,15,17H2,1-5H3.
What are the key properties of 3-[3-[tert-butyl(dimethyl)silyl]oxy-5-cyclopentylpent-1-enyl]cyclohexan-1-one?
3-[3-[tert-butyl(dimethyl)silyl]oxy-5-cyclopentylpent-1-enyl]cyclohexan-1-one has a molecular weight of 364.65 g/mol, XLogP of 6.66, 7 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[3-[tert-butyl(dimethyl)silyl]oxy-5-cyclopentylpent-1-enyl]cyclohexan-1-one is sourced from PubChem (CID 54316896), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).