(4R)-2-[[tert-butyl(dimethyl)silyl]oxymethyl]-4-methylcyclopent-2-en-1-one

C13H24O2Si — CID 160896843

IUPAC(4R)-2-[[tert-butyl(dimethyl)silyl]oxymethyl]-4-methylcyclopent-2-en-1-one
SMILESC[C@H]1C=C(CO[Si](C)(C)C(C)(C)C)C(=O)C1
InChIInChI=1S/C13H24O2Si/c1-10-7-11(12(14)8-10)9-15-16(5,6)13(2,3)4/h7,10H,8-9H2,1-6H3/t10-/m0/s1
InChIKeyKQUGIAUSBPBFEF-JTQLQIEISA-N
MW240.42 g/mol
LogP3.54
Rot. Bonds3

About (4R)-2-[[tert-butyl(dimethyl)silyl]oxymethyl]-4-methylcyclopent-2-en-1-one

(4R)-2-[[tert-butyl(dimethyl)silyl]oxymethyl]-4-methylcyclopent-2-en-1-one (PubChem CID 160896843) has the molecular formula C13H24O2Si and a molecular weight of 240.42 g/mol. Its IUPAC name is (4R)-2-[[tert-butyl(dimethyl)silyl]oxymethyl]-4-methylcyclopent-2-en-1-one.

Molecular Properties

Compound Name(4R)-2-[[tert-butyl(dimethyl)silyl]oxymethyl]-4-methylcyclopent-2-en-1-one
PubChem CID160896843
Molecular FormulaC13H24O2Si
Molecular Weight240.42 g/mol
Exact Mass240.15
IUPAC Name(4R)-2-[[tert-butyl(dimethyl)silyl]oxymethyl]-4-methylcyclopent-2-en-1-one
SMILESC[C@H]1C=C(CO[Si](C)(C)C(C)(C)C)C(=O)C1
InChIInChI=1S/C13H24O2Si/c1-10-7-11(12(14)8-10)9-15-16(5,6)13(2,3)4/h7,10H,8-9H2,1-6H3/t10-/m0/s1
InChIKeyKQUGIAUSBPBFEF-JTQLQIEISA-N
XLogP3.54
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500240.42
LogP ≤ 53.54
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 (4R)-2-[[tert-butyl(dimethyl)silyl]oxymethyl]-4-methylcyclopent-2-en-1-one?
The IUPAC name of (4R)-2-[[tert-butyl(dimethyl)silyl]oxymethyl]-4-methylcyclopent-2-en-1-one (CID 160896843) is (4R)-2-[[tert-butyl(dimethyl)silyl]oxymethyl]-4-methylcyclopent-2-en-1-one.
What is the SMILES notation for (4R)-2-[[tert-butyl(dimethyl)silyl]oxymethyl]-4-methylcyclopent-2-en-1-one?
The canonical SMILES for (4R)-2-[[tert-butyl(dimethyl)silyl]oxymethyl]-4-methylcyclopent-2-en-1-one is C[C@H]1C=C(CO[Si](C)(C)C(C)(C)C)C(=O)C1.
What is the InChIKey of (4R)-2-[[tert-butyl(dimethyl)silyl]oxymethyl]-4-methylcyclopent-2-en-1-one?
The InChIKey is KQUGIAUSBPBFEF-JTQLQIEISA-N. The full InChI is InChI=1S/C13H24O2Si/c1-10-7-11(12(14)8-10)9-15-16(5,6)13(2,3)4/h7,10H,8-9H2,1-6H3/t10-/m0/s1.
What are the key properties of (4R)-2-[[tert-butyl(dimethyl)silyl]oxymethyl]-4-methylcyclopent-2-en-1-one?
(4R)-2-[[tert-butyl(dimethyl)silyl]oxymethyl]-4-methylcyclopent-2-en-1-one has a molecular weight of 240.42 g/mol, XLogP of 3.54, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (4R)-2-[[tert-butyl(dimethyl)silyl]oxymethyl]-4-methylcyclopent-2-en-1-one is sourced from PubChem (CID 160896843), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).