2-[(E)-oct-3-enyl]-3-triethylsilyloxycyclopent-2-en-1-one

C19H34O2Si — CID 142634193

IUPAC2-[(E)-oct-3-enyl]-3-triethylsilyloxycyclopent-2-en-1-one
SMILESCCCC/C=C/CCC1=C(O[Si](CC)(CC)CC)CCC1=O
InChIInChI=1S/C19H34O2Si/c1-5-9-10-11-12-13-14-17-18(20)15-16-19(17)21-22(6-2,7-3)8-4/h11-12H,5-10,13-16H2,1-4H3/b12-11+
InChIKeyFGUWQKMENNFLMT-VAWYXSNFSA-N
MW322.57 g/mol
LogP6.15
Rot. Bonds11

About 2-[(E)-oct-3-enyl]-3-triethylsilyloxycyclopent-2-en-1-one

2-[(E)-oct-3-enyl]-3-triethylsilyloxycyclopent-2-en-1-one (PubChem CID 142634193) has the molecular formula C19H34O2Si and a molecular weight of 322.57 g/mol. Its IUPAC name is 2-[(E)-oct-3-enyl]-3-triethylsilyloxycyclopent-2-en-1-one.

Molecular Properties

Compound Name2-[(E)-oct-3-enyl]-3-triethylsilyloxycyclopent-2-en-1-one
PubChem CID142634193
Molecular FormulaC19H34O2Si
Molecular Weight322.57 g/mol
Exact Mass322.23
IUPAC Name2-[(E)-oct-3-enyl]-3-triethylsilyloxycyclopent-2-en-1-one
SMILESCCCC/C=C/CCC1=C(O[Si](CC)(CC)CC)CCC1=O
InChIInChI=1S/C19H34O2Si/c1-5-9-10-11-12-13-14-17-18(20)15-16-19(17)21-22(6-2,7-3)8-4/h11-12H,5-10,13-16H2,1-4H3/b12-11+
InChIKeyFGUWQKMENNFLMT-VAWYXSNFSA-N
XLogP6.15
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 ≤ 56.15
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

4-[Tert-butyl(dimethyl)silyl]oxy-2-propan-2-ylidenecyclohept-3-en-1-one
CID 11558220
Hentriacontane-14,16-dione, enol monotrimethylsilyl ether
CID 5366350
Hentriacontane-7,16,18-trione O-trimethylsilyl ether
CID 5366388
Methyl 7-(5-oxo-2-triethylsilyloxycyclopenten-1-yl)hept-4-enoate
CID 67792268
methyl (E)-7-(5-oxo-2-triethylsilyloxycyclopenten-1-yl)hept-4-enoate
CID 88426885
1-[Tert-butyl(dimethyl)silyl]oxy-9-methyldec-8-en-5-one
CID 91518681
6-Tri(propan-2-yl)silyloxycycloundec-6-en-1-one
CID 123248744
3-[4-[Tert-butyl(dimethyl)silyl]oxybutyl]cyclopent-2-en-1-one
CID 10084416
(4E,6S,7R)-4-[tert-butyl(dimethyl)silyl]oxy-6,7-bis(trimethylsilyl)cyclooct-4-en-1-one
CID 101071575
3-[4-Tri(propan-2-yl)silyloxybutyl]cyclohex-2-en-1-one
CID 102073616
3-[3-[Tert-butyl(dimethyl)silyl]oxypropyl]cyclopent-2-en-1-one
CID 102202991

Frequently Asked Questions

What is the IUPAC name of 2-[(E)-oct-3-enyl]-3-triethylsilyloxycyclopent-2-en-1-one?
The IUPAC name of 2-[(E)-oct-3-enyl]-3-triethylsilyloxycyclopent-2-en-1-one (CID 142634193) is 2-[(E)-oct-3-enyl]-3-triethylsilyloxycyclopent-2-en-1-one.
What is the SMILES notation for 2-[(E)-oct-3-enyl]-3-triethylsilyloxycyclopent-2-en-1-one?
The canonical SMILES for 2-[(E)-oct-3-enyl]-3-triethylsilyloxycyclopent-2-en-1-one is CCCC/C=C/CCC1=C(O[Si](CC)(CC)CC)CCC1=O.
What is the InChIKey of 2-[(E)-oct-3-enyl]-3-triethylsilyloxycyclopent-2-en-1-one?
The InChIKey is FGUWQKMENNFLMT-VAWYXSNFSA-N. The full InChI is InChI=1S/C19H34O2Si/c1-5-9-10-11-12-13-14-17-18(20)15-16-19(17)21-22(6-2,7-3)8-4/h11-12H,5-10,13-16H2,1-4H3/b12-11+.
What are the key properties of 2-[(E)-oct-3-enyl]-3-triethylsilyloxycyclopent-2-en-1-one?
2-[(E)-oct-3-enyl]-3-triethylsilyloxycyclopent-2-en-1-one has a molecular weight of 322.57 g/mol, XLogP of 6.15, 11 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(E)-oct-3-enyl]-3-triethylsilyloxycyclopent-2-en-1-one is sourced from PubChem (CID 142634193), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).