(4R)-4-[tert-butyl(dimethyl)silyl]oxy-2-(dimethoxymethyl)cyclopent-2-en-1-one

C14H26O4Si — CID 11000663

IUPAC(4R)-4-[tert-butyl(dimethyl)silyl]oxy-2-(dimethoxymethyl)cyclopent-2-en-1-one
SMILESCOC(OC)C1=C[C@H](O[Si](C)(C)C(C)(C)C)CC1=O
InChIInChI=1S/C14H26O4Si/c1-14(2,3)19(6,7)18-10-8-11(12(15)9-10)13(16-4)17-5/h8,10,13H,9H2,1-7H3/t10-/m0/s1
InChIKeyXTUMTERPPNGMKT-JTQLQIEISA-N
MW286.44 g/mol
LogP2.89
Rot. Bonds5

About (4R)-4-[tert-butyl(dimethyl)silyl]oxy-2-(dimethoxymethyl)cyclopent-2-en-1-one

(4R)-4-[tert-butyl(dimethyl)silyl]oxy-2-(dimethoxymethyl)cyclopent-2-en-1-one (PubChem CID 11000663) has the molecular formula C14H26O4Si and a molecular weight of 286.44 g/mol. Its IUPAC name is (4R)-4-[tert-butyl(dimethyl)silyl]oxy-2-(dimethoxymethyl)cyclopent-2-en-1-one.

Molecular Properties

Compound Name(4R)-4-[tert-butyl(dimethyl)silyl]oxy-2-(dimethoxymethyl)cyclopent-2-en-1-one
PubChem CID11000663
Molecular FormulaC14H26O4Si
Molecular Weight286.44 g/mol
Exact Mass286.16
IUPAC Name(4R)-4-[tert-butyl(dimethyl)silyl]oxy-2-(dimethoxymethyl)cyclopent-2-en-1-one
SMILESCOC(OC)C1=C[C@H](O[Si](C)(C)C(C)(C)C)CC1=O
InChIInChI=1S/C14H26O4Si/c1-14(2,3)19(6,7)18-10-8-11(12(15)9-10)13(16-4)17-5/h8,10,13H,9H2,1-7H3/t10-/m0/s1
InChIKeyXTUMTERPPNGMKT-JTQLQIEISA-N
XLogP2.89
TPSA44.76 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500286.44
LogP ≤ 52.89
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'heavy_metal', 'substructure': 'N/A'}, {'alert_name': 'het-C-het_not_in_ring', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of (4R)-4-[tert-butyl(dimethyl)silyl]oxy-2-(dimethoxymethyl)cyclopent-2-en-1-one?
The IUPAC name of (4R)-4-[tert-butyl(dimethyl)silyl]oxy-2-(dimethoxymethyl)cyclopent-2-en-1-one (CID 11000663) is (4R)-4-[tert-butyl(dimethyl)silyl]oxy-2-(dimethoxymethyl)cyclopent-2-en-1-one.
What is the SMILES notation for (4R)-4-[tert-butyl(dimethyl)silyl]oxy-2-(dimethoxymethyl)cyclopent-2-en-1-one?
The canonical SMILES for (4R)-4-[tert-butyl(dimethyl)silyl]oxy-2-(dimethoxymethyl)cyclopent-2-en-1-one is COC(OC)C1=C[C@H](O[Si](C)(C)C(C)(C)C)CC1=O.
What is the InChIKey of (4R)-4-[tert-butyl(dimethyl)silyl]oxy-2-(dimethoxymethyl)cyclopent-2-en-1-one?
The InChIKey is XTUMTERPPNGMKT-JTQLQIEISA-N. The full InChI is InChI=1S/C14H26O4Si/c1-14(2,3)19(6,7)18-10-8-11(12(15)9-10)13(16-4)17-5/h8,10,13H,9H2,1-7H3/t10-/m0/s1.
What are the key properties of (4R)-4-[tert-butyl(dimethyl)silyl]oxy-2-(dimethoxymethyl)cyclopent-2-en-1-one?
(4R)-4-[tert-butyl(dimethyl)silyl]oxy-2-(dimethoxymethyl)cyclopent-2-en-1-one has a molecular weight of 286.44 g/mol, XLogP of 2.89, 5 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (4R)-4-[tert-butyl(dimethyl)silyl]oxy-2-(dimethoxymethyl)cyclopent-2-en-1-one is sourced from PubChem (CID 11000663), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).