4-[[tert-butyl(dimethyl)silyl]oxymethyl]-2,3-dimethyl-5-methylidenecyclopent-2-en-1-one

C15H26O2Si — CID 10333167

IUPAC4-[[tert-butyl(dimethyl)silyl]oxymethyl]-2,3-dimethyl-5-methylidenecyclopent-2-en-1-one
SMILESC=C1C(=O)C(C)=C(C)C1CO[Si](C)(C)C(C)(C)C
InChIInChI=1S/C15H26O2Si/c1-10-11(2)14(16)12(3)13(10)9-17-18(7,8)15(4,5)6/h13H,3,9H2,1-2,4-8H3
InChIKeyUASJKRKNBVOKGK-UHFFFAOYSA-N
MW266.46 g/mol
LogP4.10
Rot. Bonds3

About 4-[[tert-butyl(dimethyl)silyl]oxymethyl]-2,3-dimethyl-5-methylidenecyclopent-2-en-1-one

4-[[tert-butyl(dimethyl)silyl]oxymethyl]-2,3-dimethyl-5-methylidenecyclopent-2-en-1-one (PubChem CID 10333167) has the molecular formula C15H26O2Si and a molecular weight of 266.46 g/mol. Its IUPAC name is 4-[[tert-butyl(dimethyl)silyl]oxymethyl]-2,3-dimethyl-5-methylidenecyclopent-2-en-1-one.

Molecular Properties

Compound Name4-[[tert-butyl(dimethyl)silyl]oxymethyl]-2,3-dimethyl-5-methylidenecyclopent-2-en-1-one
PubChem CID10333167
Molecular FormulaC15H26O2Si
Molecular Weight266.46 g/mol
Exact Mass266.17
IUPAC Name4-[[tert-butyl(dimethyl)silyl]oxymethyl]-2,3-dimethyl-5-methylidenecyclopent-2-en-1-one
SMILESC=C1C(=O)C(C)=C(C)C1CO[Si](C)(C)C(C)(C)C
InChIInChI=1S/C15H26O2Si/c1-10-11(2)14(16)12(3)13(10)9-17-18(7,8)15(4,5)6/h13H,3,9H2,1-2,4-8H3
InChIKeyUASJKRKNBVOKGK-UHFFFAOYSA-N
XLogP4.10
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500266.46
LogP ≤ 54.10
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]-2,3-dimethyl-5-methylidenecyclopent-2-en-1-one?
The IUPAC name of 4-[[tert-butyl(dimethyl)silyl]oxymethyl]-2,3-dimethyl-5-methylidenecyclopent-2-en-1-one (CID 10333167) is 4-[[tert-butyl(dimethyl)silyl]oxymethyl]-2,3-dimethyl-5-methylidenecyclopent-2-en-1-one.
What is the SMILES notation for 4-[[tert-butyl(dimethyl)silyl]oxymethyl]-2,3-dimethyl-5-methylidenecyclopent-2-en-1-one?
The canonical SMILES for 4-[[tert-butyl(dimethyl)silyl]oxymethyl]-2,3-dimethyl-5-methylidenecyclopent-2-en-1-one is C=C1C(=O)C(C)=C(C)C1CO[Si](C)(C)C(C)(C)C.
What is the InChIKey of 4-[[tert-butyl(dimethyl)silyl]oxymethyl]-2,3-dimethyl-5-methylidenecyclopent-2-en-1-one?
The InChIKey is UASJKRKNBVOKGK-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H26O2Si/c1-10-11(2)14(16)12(3)13(10)9-17-18(7,8)15(4,5)6/h13H,3,9H2,1-2,4-8H3.
What are the key properties of 4-[[tert-butyl(dimethyl)silyl]oxymethyl]-2,3-dimethyl-5-methylidenecyclopent-2-en-1-one?
4-[[tert-butyl(dimethyl)silyl]oxymethyl]-2,3-dimethyl-5-methylidenecyclopent-2-en-1-one has a molecular weight of 266.46 g/mol, XLogP of 4.10, 3 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]-2,3-dimethyl-5-methylidenecyclopent-2-en-1-one is sourced from PubChem (CID 10333167), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).