4-tert-butyl-4-dimethylsilyloxy-2-ethyl-3-methylcyclopent-2-en-1-one

C14H26O2Si — CID 173313130

IUPAC4-tert-butyl-4-dimethylsilyloxy-2-ethyl-3-methylcyclopent-2-en-1-one
SMILESCCC1=C(C)C(O[SiH](C)C)(C(C)(C)C)CC1=O
InChIInChI=1S/C14H26O2Si/c1-8-11-10(2)14(9-12(11)15,13(3,4)5)16-17(6)7/h17H,8-9H2,1-7H3
InChIKeyKCTFDJOQMASXTM-UHFFFAOYSA-N
MW254.45 g/mol
LogP3.47
Rot. Bonds3

About 4-tert-butyl-4-dimethylsilyloxy-2-ethyl-3-methylcyclopent-2-en-1-one

4-tert-butyl-4-dimethylsilyloxy-2-ethyl-3-methylcyclopent-2-en-1-one (PubChem CID 173313130) has the molecular formula C14H26O2Si and a molecular weight of 254.45 g/mol. Its IUPAC name is 4-tert-butyl-4-dimethylsilyloxy-2-ethyl-3-methylcyclopent-2-en-1-one.

Molecular Properties

Compound Name4-tert-butyl-4-dimethylsilyloxy-2-ethyl-3-methylcyclopent-2-en-1-one
PubChem CID173313130
Molecular FormulaC14H26O2Si
Molecular Weight254.45 g/mol
Exact Mass254.17
IUPAC Name4-tert-butyl-4-dimethylsilyloxy-2-ethyl-3-methylcyclopent-2-en-1-one
SMILESCCC1=C(C)C(O[SiH](C)C)(C(C)(C)C)CC1=O
InChIInChI=1S/C14H26O2Si/c1-8-11-10(2)14(9-12(11)15,13(3,4)5)16-17(6)7/h17H,8-9H2,1-7H3
InChIKeyKCTFDJOQMASXTM-UHFFFAOYSA-N
XLogP3.47
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500254.45
LogP ≤ 53.47
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 4-tert-butyl-4-dimethylsilyloxy-2-ethyl-3-methylcyclopent-2-en-1-one?
The IUPAC name of 4-tert-butyl-4-dimethylsilyloxy-2-ethyl-3-methylcyclopent-2-en-1-one (CID 173313130) is 4-tert-butyl-4-dimethylsilyloxy-2-ethyl-3-methylcyclopent-2-en-1-one.
What is the SMILES notation for 4-tert-butyl-4-dimethylsilyloxy-2-ethyl-3-methylcyclopent-2-en-1-one?
The canonical SMILES for 4-tert-butyl-4-dimethylsilyloxy-2-ethyl-3-methylcyclopent-2-en-1-one is CCC1=C(C)C(O[SiH](C)C)(C(C)(C)C)CC1=O.
What is the InChIKey of 4-tert-butyl-4-dimethylsilyloxy-2-ethyl-3-methylcyclopent-2-en-1-one?
The InChIKey is KCTFDJOQMASXTM-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H26O2Si/c1-8-11-10(2)14(9-12(11)15,13(3,4)5)16-17(6)7/h17H,8-9H2,1-7H3.
What are the key properties of 4-tert-butyl-4-dimethylsilyloxy-2-ethyl-3-methylcyclopent-2-en-1-one?
4-tert-butyl-4-dimethylsilyloxy-2-ethyl-3-methylcyclopent-2-en-1-one has a molecular weight of 254.45 g/mol, XLogP of 3.47, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-tert-butyl-4-dimethylsilyloxy-2-ethyl-3-methylcyclopent-2-en-1-one is sourced from PubChem (CID 173313130), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).