2-[4-(2-oxo-3-triethylsilyloxypropoxy)but-1-enyl]-4-triethylsilyloxycyclopent-2-en-1-one

C24H44O5Si2 — CID 70469836

IUPAC2-[4-(2-oxo-3-triethylsilyloxypropoxy)but-1-enyl]-4-triethylsilyloxycyclopent-2-en-1-one
SMILESCC[Si](CC)(CC)OCC(=O)COCCC=CC1=CC(O[Si](CC)(CC)CC)CC1=O
InChIInChI=1S/C24H44O5Si2/c1-7-30(8-2,9-3)28-20-22(25)19-27-16-14-13-15-21-17-23(18-24(21)26)29-31(10-4,11-5)12-6/h13,15,17,23H,7-12,14,16,18-20H2,1-6H3
InChIKeyRFVCEFKHECEQRY-UHFFFAOYSA-N
MW468.78 g/mol
LogP5.83
Rot. Bonds17

About 2-[4-(2-oxo-3-triethylsilyloxypropoxy)but-1-enyl]-4-triethylsilyloxycyclopent-2-en-1-one

2-[4-(2-oxo-3-triethylsilyloxypropoxy)but-1-enyl]-4-triethylsilyloxycyclopent-2-en-1-one (PubChem CID 70469836) has the molecular formula C24H44O5Si2 and a molecular weight of 468.78 g/mol. Its IUPAC name is 2-[4-(2-oxo-3-triethylsilyloxypropoxy)but-1-enyl]-4-triethylsilyloxycyclopent-2-en-1-one.

Molecular Properties

Compound Name2-[4-(2-oxo-3-triethylsilyloxypropoxy)but-1-enyl]-4-triethylsilyloxycyclopent-2-en-1-one
PubChem CID70469836
Molecular FormulaC24H44O5Si2
Molecular Weight468.78 g/mol
Exact Mass468.27
IUPAC Name2-[4-(2-oxo-3-triethylsilyloxypropoxy)but-1-enyl]-4-triethylsilyloxycyclopent-2-en-1-one
SMILESCC[Si](CC)(CC)OCC(=O)COCCC=CC1=CC(O[Si](CC)(CC)CC)CC1=O
InChIInChI=1S/C24H44O5Si2/c1-7-30(8-2,9-3)28-20-22(25)19-27-16-14-13-15-21-17-23(18-24(21)26)29-31(10-4,11-5)12-6/h13,15,17,23H,7-12,14,16,18-20H2,1-6H3
InChIKeyRFVCEFKHECEQRY-UHFFFAOYSA-N
XLogP5.83
TPSA61.83 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds17
Heavy Atoms31
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500468.78
LogP ≤ 55.83
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 2-[4-(2-oxo-3-triethylsilyloxypropoxy)but-1-enyl]-4-triethylsilyloxycyclopent-2-en-1-one?
The IUPAC name of 2-[4-(2-oxo-3-triethylsilyloxypropoxy)but-1-enyl]-4-triethylsilyloxycyclopent-2-en-1-one (CID 70469836) is 2-[4-(2-oxo-3-triethylsilyloxypropoxy)but-1-enyl]-4-triethylsilyloxycyclopent-2-en-1-one.
What is the SMILES notation for 2-[4-(2-oxo-3-triethylsilyloxypropoxy)but-1-enyl]-4-triethylsilyloxycyclopent-2-en-1-one?
The canonical SMILES for 2-[4-(2-oxo-3-triethylsilyloxypropoxy)but-1-enyl]-4-triethylsilyloxycyclopent-2-en-1-one is CC[Si](CC)(CC)OCC(=O)COCCC=CC1=CC(O[Si](CC)(CC)CC)CC1=O.
What is the InChIKey of 2-[4-(2-oxo-3-triethylsilyloxypropoxy)but-1-enyl]-4-triethylsilyloxycyclopent-2-en-1-one?
The InChIKey is RFVCEFKHECEQRY-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H44O5Si2/c1-7-30(8-2,9-3)28-20-22(25)19-27-16-14-13-15-21-17-23(18-24(21)26)29-31(10-4,11-5)12-6/h13,15,17,23H,7-12,14,16,18-20H2,1-6H3.
What are the key properties of 2-[4-(2-oxo-3-triethylsilyloxypropoxy)but-1-enyl]-4-triethylsilyloxycyclopent-2-en-1-one?
2-[4-(2-oxo-3-triethylsilyloxypropoxy)but-1-enyl]-4-triethylsilyloxycyclopent-2-en-1-one has a molecular weight of 468.78 g/mol, XLogP of 5.83, 17 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-(2-oxo-3-triethylsilyloxypropoxy)but-1-enyl]-4-triethylsilyloxycyclopent-2-en-1-one is sourced from PubChem (CID 70469836), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).