2-oct-3-enyl-4-triethylsilyloxycyclopent-2-en-1-one

C19H34O2Si — CID 67929281

IUPAC2-oct-3-enyl-4-triethylsilyloxycyclopent-2-en-1-one
SMILESCCCCC=CCCC1=CC(O[Si](CC)(CC)CC)CC1=O
InChIInChI=1S/C19H34O2Si/c1-5-9-10-11-12-13-14-17-15-18(16-19(17)20)21-22(6-2,7-3)8-4/h11-12,15,18H,5-10,13-14,16H2,1-4H3
InChIKeyMHWUDMMJEFIBLG-UHFFFAOYSA-N
MW322.57 g/mol
LogP5.80
Rot. Bonds11

About 2-oct-3-enyl-4-triethylsilyloxycyclopent-2-en-1-one

2-oct-3-enyl-4-triethylsilyloxycyclopent-2-en-1-one (PubChem CID 67929281) has the molecular formula C19H34O2Si and a molecular weight of 322.57 g/mol. Its IUPAC name is 2-oct-3-enyl-4-triethylsilyloxycyclopent-2-en-1-one.

Molecular Properties

Compound Name2-oct-3-enyl-4-triethylsilyloxycyclopent-2-en-1-one
PubChem CID67929281
Molecular FormulaC19H34O2Si
Molecular Weight322.57 g/mol
Exact Mass322.23
IUPAC Name2-oct-3-enyl-4-triethylsilyloxycyclopent-2-en-1-one
SMILESCCCCC=CCCC1=CC(O[Si](CC)(CC)CC)CC1=O
InChIInChI=1S/C19H34O2Si/c1-5-9-10-11-12-13-14-17-15-18(16-19(17)20)21-22(6-2,7-3)8-4/h11-12,15,18H,5-10,13-14,16H2,1-4H3
InChIKeyMHWUDMMJEFIBLG-UHFFFAOYSA-N
XLogP5.80
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds11
Heavy Atoms22
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500322.57
LogP ≤ 55.80
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

(R)-Methyl 7-(3-((tert-butyldimethylsilyl)oxy)-5-oxocyclopent-1-en-1-yl)heptanoate
CID 11024659
2-Cyclohexen-1-one, 2-[[[(1,1-dimethylethyl)dimethylsilyl]oxy]methyl]-
CID 11230203
3-Butyl-2-methyl-5-methylidene-4-tri(propan-2-yl)silyloxycyclopent-2-en-1-one
CID 16046348
4-[Tert-butyl(dimethyl)silyl]oxy-3-methylcyclopent-2-en-1-one
CID 134963516
Methyl 7-(5-oxo-3-((triethylsilyl)oxy)cyclopent-1-en-1-yl)heptanoate
CID 10991861
2-(((tert-Butyldimethylsilyl)oxy)methyl)cyclopent-2-enone
CID 13161571
(4S,5E)-5-[(3S)-3-[tert-butyl(dimethyl)silyl]oxyoctylidene]-4-prop-2-enylcyclopent-2-en-1-one
CID 138976506
(6R,11Z,13S)-6-hydroxy-2-methyl-13-tri(propan-2-yl)silyloxypentadeca-2,11-dien-8-one
CID 5471931
methyl 7-[(3S)-3-[tert-butyl(dimethyl)silyl]oxy-5-oxocyclopenten-1-yl]heptanoate
CID 14731773
methyl 7-[(3R)-3-[tert-butyl(dimethyl)silyl]oxy-5-oxocyclopenten-1-yl]-6-oxoheptanoate
CID 10384421
(R)-Methyl 7-(5-oxo-3-((triethylsilyl)oxy)cyclopent-1-en-1-yl)heptanoate
CID 10832001
(4S)-4-[tert-butyl(dimethyl)silyl]oxy-2-[(4R)-4-triethylsilyloxypentanoyl]cyclopent-2-en-1-one
CID 71544953

Frequently Asked Questions

What is the IUPAC name of 2-oct-3-enyl-4-triethylsilyloxycyclopent-2-en-1-one?
The IUPAC name of 2-oct-3-enyl-4-triethylsilyloxycyclopent-2-en-1-one (CID 67929281) is 2-oct-3-enyl-4-triethylsilyloxycyclopent-2-en-1-one.
What is the SMILES notation for 2-oct-3-enyl-4-triethylsilyloxycyclopent-2-en-1-one?
The canonical SMILES for 2-oct-3-enyl-4-triethylsilyloxycyclopent-2-en-1-one is CCCCC=CCCC1=CC(O[Si](CC)(CC)CC)CC1=O.
What is the InChIKey of 2-oct-3-enyl-4-triethylsilyloxycyclopent-2-en-1-one?
The InChIKey is MHWUDMMJEFIBLG-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H34O2Si/c1-5-9-10-11-12-13-14-17-15-18(16-19(17)20)21-22(6-2,7-3)8-4/h11-12,15,18H,5-10,13-14,16H2,1-4H3.
What are the key properties of 2-oct-3-enyl-4-triethylsilyloxycyclopent-2-en-1-one?
2-oct-3-enyl-4-triethylsilyloxycyclopent-2-en-1-one has a molecular weight of 322.57 g/mol, XLogP of 5.80, 11 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-oct-3-enyl-4-triethylsilyloxycyclopent-2-en-1-one is sourced from PubChem (CID 67929281), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).