2-[1-[diethyl(7-oxooct-3-enoxy)silyl]ethyl]-4-triethylsilyloxycyclopent-2-en-1-one

C25H46O4Si2 — CID 54172867

IUPAC2-[1-[diethyl(7-oxooct-3-enoxy)silyl]ethyl]-4-triethylsilyloxycyclopent-2-en-1-one
SMILESCC[Si](CC)(CC)OC1C=C(C(C)[Si](CC)(CC)OCCC=CCCC(C)=O)C(=O)C1
InChIInChI=1S/C25H46O4Si2/c1-8-30(9-2,10-3)29-23-19-24(25(27)20-23)22(7)31(11-4,12-5)28-18-16-14-13-15-17-21(6)26/h13-14,19,22-23H,8-12,15-18,20H2,1-7H3
InChIKeyOWFTUZXJUIDPQR-UHFFFAOYSA-N
MW466.81 g/mol
LogP6.98
Rot. Bonds16

About 2-[1-[diethyl(7-oxooct-3-enoxy)silyl]ethyl]-4-triethylsilyloxycyclopent-2-en-1-one

2-[1-[diethyl(7-oxooct-3-enoxy)silyl]ethyl]-4-triethylsilyloxycyclopent-2-en-1-one (PubChem CID 54172867) has the molecular formula C25H46O4Si2 and a molecular weight of 466.81 g/mol. Its IUPAC name is 2-[1-[diethyl(7-oxooct-3-enoxy)silyl]ethyl]-4-triethylsilyloxycyclopent-2-en-1-one.

Molecular Properties

Compound Name2-[1-[diethyl(7-oxooct-3-enoxy)silyl]ethyl]-4-triethylsilyloxycyclopent-2-en-1-one
PubChem CID54172867
Molecular FormulaC25H46O4Si2
Molecular Weight466.81 g/mol
Exact Mass466.29
IUPAC Name2-[1-[diethyl(7-oxooct-3-enoxy)silyl]ethyl]-4-triethylsilyloxycyclopent-2-en-1-one
SMILESCC[Si](CC)(CC)OC1C=C(C(C)[Si](CC)(CC)OCCC=CCCC(C)=O)C(=O)C1
InChIInChI=1S/C25H46O4Si2/c1-8-30(9-2,10-3)29-23-19-24(25(27)20-23)22(7)31(11-4,12-5)28-18-16-14-13-15-17-21(6)26/h13-14,19,22-23H,8-12,15-18,20H2,1-7H3
InChIKeyOWFTUZXJUIDPQR-UHFFFAOYSA-N
XLogP6.98
TPSA52.60 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds16
Heavy Atoms31
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500466.81
LogP ≤ 56.98
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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

3-Butyl-2-methyl-5-methylidene-4-tri(propan-2-yl)silyloxycyclopent-2-en-1-one
CID 16046348
2-(((Tert-butyldimethylsilyl)oxy)methyl)-2-cyclopentenone
CID 13161571
(4R,5S)-5-[(1E)-2,6-dimethylhepta-1,5-dienyl]-2-methyl-4-triethylsilyloxycyclopent-2-en-1-one
CID 11581069
3-[(E)-3-[tert-butyl(dimethyl)silyl]oxyoct-1-enyl]-2-methylcyclopent-2-en-1-one
CID 10427154
(4R,5S)-4,5-bis[[tert-butyl(dimethyl)silyl]oxy]cyclohex-2-en-1-one
CID 15364500
(6R,11Z,13S)-2-methyl-6-triethylsilyloxy-13-tri(propan-2-yl)silyloxypentadeca-2,11-dien-8-one
CID 5471930
cis-(3R,4R)-4-[tert-butyl(dimethyl)silyl]oxy-3-[(E,3S)-3-[tert-butyl(dimethyl)silyl]oxyoct-1-enyl]-2-methylidenecyclopentan-1-one
CID 10863595
(R,Z)-Methyl 7-(5-oxo-3-((triethylsilyl)oxy)cyclopent-1-en-1-yl)hept-5-enoate
CID 10981066
4-[Tert-butyl(dimethyl)silyl]oxy-2-methylcyclopent-2-en-1-one
CID 10987962
(R,Z)-Methyl 7-(3-((tert-butyldimethylsilyl)oxy)-5-oxocyclopent-1-en-1-yl)hept-5-enoate
CID 11057306
2-(7,8-Bistrimethylsilyloxyoctyl)-4-trimethylsilyloxycyclopent-2-en-1-one
CID 12760713
2-[(Z)-7,8-bis(trimethylsilyloxy)oct-2-enyl]-4-trimethylsilyloxycyclopent-2-en-1-one
CID 12770874

Frequently Asked Questions

What is the IUPAC name of 2-[1-[diethyl(7-oxooct-3-enoxy)silyl]ethyl]-4-triethylsilyloxycyclopent-2-en-1-one?
The IUPAC name of 2-[1-[diethyl(7-oxooct-3-enoxy)silyl]ethyl]-4-triethylsilyloxycyclopent-2-en-1-one (CID 54172867) is 2-[1-[diethyl(7-oxooct-3-enoxy)silyl]ethyl]-4-triethylsilyloxycyclopent-2-en-1-one.
What is the SMILES notation for 2-[1-[diethyl(7-oxooct-3-enoxy)silyl]ethyl]-4-triethylsilyloxycyclopent-2-en-1-one?
The canonical SMILES for 2-[1-[diethyl(7-oxooct-3-enoxy)silyl]ethyl]-4-triethylsilyloxycyclopent-2-en-1-one is CC[Si](CC)(CC)OC1C=C(C(C)[Si](CC)(CC)OCCC=CCCC(C)=O)C(=O)C1.
What is the InChIKey of 2-[1-[diethyl(7-oxooct-3-enoxy)silyl]ethyl]-4-triethylsilyloxycyclopent-2-en-1-one?
The InChIKey is OWFTUZXJUIDPQR-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H46O4Si2/c1-8-30(9-2,10-3)29-23-19-24(25(27)20-23)22(7)31(11-4,12-5)28-18-16-14-13-15-17-21(6)26/h13-14,19,22-23H,8-12,15-18,20H2,1-7H3.
What are the key properties of 2-[1-[diethyl(7-oxooct-3-enoxy)silyl]ethyl]-4-triethylsilyloxycyclopent-2-en-1-one?
2-[1-[diethyl(7-oxooct-3-enoxy)silyl]ethyl]-4-triethylsilyloxycyclopent-2-en-1-one has a molecular weight of 466.81 g/mol, XLogP of 6.98, 16 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[1-[diethyl(7-oxooct-3-enoxy)silyl]ethyl]-4-triethylsilyloxycyclopent-2-en-1-one is sourced from PubChem (CID 54172867), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).