4-[(2-methylpropan-2-yl)oxy]-2-(2-trimethylsilylnon-2-enyl)cyclopent-2-en-1-one

C21H38O2Si — CID 54347276

IUPAC4-[(2-methylpropan-2-yl)oxy]-2-(2-trimethylsilylnon-2-enyl)cyclopent-2-en-1-one
SMILESCCCCCCC=C(CC1=CC(OC(C)(C)C)CC1=O)[Si](C)(C)C
InChIInChI=1S/C21H38O2Si/c1-8-9-10-11-12-13-19(24(5,6)7)15-17-14-18(16-20(17)22)23-21(2,3)4/h13-14,18H,8-12,15-16H2,1-7H3
InChIKeyUDECRBDJTWAPOU-UHFFFAOYSA-N
MW350.62 g/mol
LogP6.23
Rot. Bonds9

About 4-[(2-methylpropan-2-yl)oxy]-2-(2-trimethylsilylnon-2-enyl)cyclopent-2-en-1-one

4-[(2-methylpropan-2-yl)oxy]-2-(2-trimethylsilylnon-2-enyl)cyclopent-2-en-1-one (PubChem CID 54347276) has the molecular formula C21H38O2Si and a molecular weight of 350.62 g/mol. Its IUPAC name is 4-[(2-methylpropan-2-yl)oxy]-2-(2-trimethylsilylnon-2-enyl)cyclopent-2-en-1-one.

Molecular Properties

Compound Name4-[(2-methylpropan-2-yl)oxy]-2-(2-trimethylsilylnon-2-enyl)cyclopent-2-en-1-one
PubChem CID54347276
Molecular FormulaC21H38O2Si
Molecular Weight350.62 g/mol
Exact Mass350.26
IUPAC Name4-[(2-methylpropan-2-yl)oxy]-2-(2-trimethylsilylnon-2-enyl)cyclopent-2-en-1-one
SMILESCCCCCCC=C(CC1=CC(OC(C)(C)C)CC1=O)[Si](C)(C)C
InChIInChI=1S/C21H38O2Si/c1-8-9-10-11-12-13-19(24(5,6)7)15-17-14-18(16-20(17)22)23-21(2,3)4/h13-14,18H,8-12,15-16H2,1-7H3
InChIKeyUDECRBDJTWAPOU-UHFFFAOYSA-N
XLogP6.23
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds9
Heavy Atoms24
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500350.62
LogP ≤ 56.23
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'}

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Frequently Asked Questions

What is the IUPAC name of 4-[(2-methylpropan-2-yl)oxy]-2-(2-trimethylsilylnon-2-enyl)cyclopent-2-en-1-one?
The IUPAC name of 4-[(2-methylpropan-2-yl)oxy]-2-(2-trimethylsilylnon-2-enyl)cyclopent-2-en-1-one (CID 54347276) is 4-[(2-methylpropan-2-yl)oxy]-2-(2-trimethylsilylnon-2-enyl)cyclopent-2-en-1-one.
What is the SMILES notation for 4-[(2-methylpropan-2-yl)oxy]-2-(2-trimethylsilylnon-2-enyl)cyclopent-2-en-1-one?
The canonical SMILES for 4-[(2-methylpropan-2-yl)oxy]-2-(2-trimethylsilylnon-2-enyl)cyclopent-2-en-1-one is CCCCCCC=C(CC1=CC(OC(C)(C)C)CC1=O)[Si](C)(C)C.
What is the InChIKey of 4-[(2-methylpropan-2-yl)oxy]-2-(2-trimethylsilylnon-2-enyl)cyclopent-2-en-1-one?
The InChIKey is UDECRBDJTWAPOU-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H38O2Si/c1-8-9-10-11-12-13-19(24(5,6)7)15-17-14-18(16-20(17)22)23-21(2,3)4/h13-14,18H,8-12,15-16H2,1-7H3.
What are the key properties of 4-[(2-methylpropan-2-yl)oxy]-2-(2-trimethylsilylnon-2-enyl)cyclopent-2-en-1-one?
4-[(2-methylpropan-2-yl)oxy]-2-(2-trimethylsilylnon-2-enyl)cyclopent-2-en-1-one has a molecular weight of 350.62 g/mol, XLogP of 6.23, 9 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(2-methylpropan-2-yl)oxy]-2-(2-trimethylsilylnon-2-enyl)cyclopent-2-en-1-one is sourced from PubChem (CID 54347276), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).