4-[tert-butyl(dimethyl)silyl]oxy-2-(7-oxooctyl)cyclopent-2-en-1-one

C19H34O3Si — CID 21132810

IUPAC4-[tert-butyl(dimethyl)silyl]oxy-2-(7-oxooctyl)cyclopent-2-en-1-one
SMILESCC(=O)CCCCCCC1=CC(O[Si](C)(C)C(C)(C)C)CC1=O
InChIInChI=1S/C19H34O3Si/c1-15(20)11-9-7-8-10-12-16-13-17(14-18(16)21)22-23(5,6)19(2,3)4/h13,17H,7-12,14H2,1-6H3
InChIKeyCVPLZUFVHNLTFZ-UHFFFAOYSA-N
MW338.56 g/mol
LogP5.21
Rot. Bonds9

About 4-[tert-butyl(dimethyl)silyl]oxy-2-(7-oxooctyl)cyclopent-2-en-1-one

4-[tert-butyl(dimethyl)silyl]oxy-2-(7-oxooctyl)cyclopent-2-en-1-one (PubChem CID 21132810) has the molecular formula C19H34O3Si and a molecular weight of 338.56 g/mol. Its IUPAC name is 4-[tert-butyl(dimethyl)silyl]oxy-2-(7-oxooctyl)cyclopent-2-en-1-one.

Molecular Properties

Compound Name4-[tert-butyl(dimethyl)silyl]oxy-2-(7-oxooctyl)cyclopent-2-en-1-one
PubChem CID21132810
Molecular FormulaC19H34O3Si
Molecular Weight338.56 g/mol
Exact Mass338.23
IUPAC Name4-[tert-butyl(dimethyl)silyl]oxy-2-(7-oxooctyl)cyclopent-2-en-1-one
SMILESCC(=O)CCCCCCC1=CC(O[Si](C)(C)C(C)(C)C)CC1=O
InChIInChI=1S/C19H34O3Si/c1-15(20)11-9-7-8-10-12-16-13-17(14-18(16)21)22-23(5,6)19(2,3)4/h13,17H,7-12,14H2,1-6H3
InChIKeyCVPLZUFVHNLTFZ-UHFFFAOYSA-N
XLogP5.21
TPSA43.37 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds9
Heavy Atoms23
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500338.56
LogP ≤ 55.21
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'heavy_metal', '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
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
2-[(E,1S)-1-hydroxy-4-methyl-6-trimethylsilylhex-4-enyl]cyclohex-2-en-1-one
CID 24867797
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
methyl 7-[(3S)-5-oxo-3-triethylsilyloxycyclopenten-1-yl]heptanoate
CID 99773975
(3aR,9aS)-2-[[tert-butyl(dimethyl)silyl]oxymethyl]-3a,4,5,6,7,8,9,9a-octahydrocyclopenta[8]annulen-3-one
CID 134848908

Frequently Asked Questions

What is the IUPAC name of 4-[tert-butyl(dimethyl)silyl]oxy-2-(7-oxooctyl)cyclopent-2-en-1-one?
The IUPAC name of 4-[tert-butyl(dimethyl)silyl]oxy-2-(7-oxooctyl)cyclopent-2-en-1-one (CID 21132810) is 4-[tert-butyl(dimethyl)silyl]oxy-2-(7-oxooctyl)cyclopent-2-en-1-one.
What is the SMILES notation for 4-[tert-butyl(dimethyl)silyl]oxy-2-(7-oxooctyl)cyclopent-2-en-1-one?
The canonical SMILES for 4-[tert-butyl(dimethyl)silyl]oxy-2-(7-oxooctyl)cyclopent-2-en-1-one is CC(=O)CCCCCCC1=CC(O[Si](C)(C)C(C)(C)C)CC1=O.
What is the InChIKey of 4-[tert-butyl(dimethyl)silyl]oxy-2-(7-oxooctyl)cyclopent-2-en-1-one?
The InChIKey is CVPLZUFVHNLTFZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H34O3Si/c1-15(20)11-9-7-8-10-12-16-13-17(14-18(16)21)22-23(5,6)19(2,3)4/h13,17H,7-12,14H2,1-6H3.
What are the key properties of 4-[tert-butyl(dimethyl)silyl]oxy-2-(7-oxooctyl)cyclopent-2-en-1-one?
4-[tert-butyl(dimethyl)silyl]oxy-2-(7-oxooctyl)cyclopent-2-en-1-one has a molecular weight of 338.56 g/mol, XLogP of 5.21, 9 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[tert-butyl(dimethyl)silyl]oxy-2-(7-oxooctyl)cyclopent-2-en-1-one is sourced from PubChem (CID 21132810), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).