4-[[tert-butyl(dimethyl)silyl]oxymethyl]-2-methyl-5-methylidene-3-propan-2-ylcyclopent-2-en-1-one

C17H30O2Si — CID 10334655

IUPAC4-[[tert-butyl(dimethyl)silyl]oxymethyl]-2-methyl-5-methylidene-3-propan-2-ylcyclopent-2-en-1-one
SMILESC=C1C(=O)C(C)=C(C(C)C)C1CO[Si](C)(C)C(C)(C)C
InChIInChI=1S/C17H30O2Si/c1-11(2)15-13(4)16(18)12(3)14(15)10-19-20(8,9)17(5,6)7/h11,14H,3,10H2,1-2,4-9H3
InChIKeyNJQREZBUCIFQHM-UHFFFAOYSA-N
MW294.51 g/mol
LogP4.74
Rot. Bonds4

About 4-[[tert-butyl(dimethyl)silyl]oxymethyl]-2-methyl-5-methylidene-3-propan-2-ylcyclopent-2-en-1-one

4-[[tert-butyl(dimethyl)silyl]oxymethyl]-2-methyl-5-methylidene-3-propan-2-ylcyclopent-2-en-1-one (PubChem CID 10334655) has the molecular formula C17H30O2Si and a molecular weight of 294.51 g/mol. Its IUPAC name is 4-[[tert-butyl(dimethyl)silyl]oxymethyl]-2-methyl-5-methylidene-3-propan-2-ylcyclopent-2-en-1-one.

Molecular Properties

Compound Name4-[[tert-butyl(dimethyl)silyl]oxymethyl]-2-methyl-5-methylidene-3-propan-2-ylcyclopent-2-en-1-one
PubChem CID10334655
Molecular FormulaC17H30O2Si
Molecular Weight294.51 g/mol
Exact Mass294.20
IUPAC Name4-[[tert-butyl(dimethyl)silyl]oxymethyl]-2-methyl-5-methylidene-3-propan-2-ylcyclopent-2-en-1-one
SMILESC=C1C(=O)C(C)=C(C(C)C)C1CO[Si](C)(C)C(C)(C)C
InChIInChI=1S/C17H30O2Si/c1-11(2)15-13(4)16(18)12(3)14(15)10-19-20(8,9)17(5,6)7/h11,14H,3,10H2,1-2,4-9H3
InChIKeyNJQREZBUCIFQHM-UHFFFAOYSA-N
XLogP4.74
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500294.51
LogP ≤ 54.74
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'heavy_metal', 'substructure': 'N/A'}, {'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 4-[[tert-butyl(dimethyl)silyl]oxymethyl]-2-methyl-5-methylidene-3-propan-2-ylcyclopent-2-en-1-one?
The IUPAC name of 4-[[tert-butyl(dimethyl)silyl]oxymethyl]-2-methyl-5-methylidene-3-propan-2-ylcyclopent-2-en-1-one (CID 10334655) is 4-[[tert-butyl(dimethyl)silyl]oxymethyl]-2-methyl-5-methylidene-3-propan-2-ylcyclopent-2-en-1-one.
What is the SMILES notation for 4-[[tert-butyl(dimethyl)silyl]oxymethyl]-2-methyl-5-methylidene-3-propan-2-ylcyclopent-2-en-1-one?
The canonical SMILES for 4-[[tert-butyl(dimethyl)silyl]oxymethyl]-2-methyl-5-methylidene-3-propan-2-ylcyclopent-2-en-1-one is C=C1C(=O)C(C)=C(C(C)C)C1CO[Si](C)(C)C(C)(C)C.
What is the InChIKey of 4-[[tert-butyl(dimethyl)silyl]oxymethyl]-2-methyl-5-methylidene-3-propan-2-ylcyclopent-2-en-1-one?
The InChIKey is NJQREZBUCIFQHM-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H30O2Si/c1-11(2)15-13(4)16(18)12(3)14(15)10-19-20(8,9)17(5,6)7/h11,14H,3,10H2,1-2,4-9H3.
What are the key properties of 4-[[tert-butyl(dimethyl)silyl]oxymethyl]-2-methyl-5-methylidene-3-propan-2-ylcyclopent-2-en-1-one?
4-[[tert-butyl(dimethyl)silyl]oxymethyl]-2-methyl-5-methylidene-3-propan-2-ylcyclopent-2-en-1-one has a molecular weight of 294.51 g/mol, XLogP of 4.74, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[[tert-butyl(dimethyl)silyl]oxymethyl]-2-methyl-5-methylidene-3-propan-2-ylcyclopent-2-en-1-one is sourced from PubChem (CID 10334655), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).