(5E)-4-[tert-butyl(dimethyl)silyl]oxy-5-(2-methylpropylidene)cyclopent-2-en-1-one

C15H26O2Si — CID 11369146

IUPAC(5E)-4-[tert-butyl(dimethyl)silyl]oxy-5-(2-methylpropylidene)cyclopent-2-en-1-one
SMILESCC(C)/C=C1/C(=O)C=CC1O[Si](C)(C)C(C)(C)C
InChIInChI=1S/C15H26O2Si/c1-11(2)10-12-13(16)8-9-14(12)17-18(6,7)15(3,4)5/h8-11,14H,1-7H3/b12-10-
InChIKeyKDXFXRLPRKGLGV-BENRWUELSA-N
MW266.46 g/mol
LogP4.10
Rot. Bonds3

About (5E)-4-[tert-butyl(dimethyl)silyl]oxy-5-(2-methylpropylidene)cyclopent-2-en-1-one

(5E)-4-[tert-butyl(dimethyl)silyl]oxy-5-(2-methylpropylidene)cyclopent-2-en-1-one (PubChem CID 11369146) has the molecular formula C15H26O2Si and a molecular weight of 266.46 g/mol. Its IUPAC name is (5E)-4-[tert-butyl(dimethyl)silyl]oxy-5-(2-methylpropylidene)cyclopent-2-en-1-one.

Molecular Properties

Compound Name(5E)-4-[tert-butyl(dimethyl)silyl]oxy-5-(2-methylpropylidene)cyclopent-2-en-1-one
PubChem CID11369146
Molecular FormulaC15H26O2Si
Molecular Weight266.46 g/mol
Exact Mass266.17
IUPAC Name(5E)-4-[tert-butyl(dimethyl)silyl]oxy-5-(2-methylpropylidene)cyclopent-2-en-1-one
SMILESCC(C)/C=C1/C(=O)C=CC1O[Si](C)(C)C(C)(C)C
InChIInChI=1S/C15H26O2Si/c1-11(2)10-12-13(16)8-9-14(12)17-18(6,7)15(3,4)5/h8-11,14H,1-7H3/b12-10-
InChIKeyKDXFXRLPRKGLGV-BENRWUELSA-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'}

Analyze (5E)-4-[tert-butyl(dimethyl)silyl]oxy-5-(2-methylpropylidene)cyclopent-2-en-1-one with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

(S)-4-tert-butyldimethylsilyloxy-2-cyclopenten-1-one
CID 10176717
4-((tert-Butyl(dimethyl)silyl)oxy)cyclopent-2-en-1-one
CID 4131699
(4S)-4-{[tert-Butyl(dimethyl)silyl]oxy}-5,5-dimethylcyclopent-2-en-1-one
CID 12964897
(4R)-(+)-t-Butyldimethylsiloxy-2-cyclopenten-1-one
CID 2734530
(4R)-4-trimethylsilyloxycyclopent-2-en-1-one
CID 10844889
(4S)-4-[tert-butyl(dimethyl)silyl]oxy-2-iodocyclopent-2-en-1-one
CID 11035123
(R)-4-(tert-Butyl-dimethyl-silanyloxy)-2-iodo-cyclopent-2-enone
CID 11099812
2-(((Tert-butyldimethylsilyl)oxy)methyl)-2-cyclopentenone
CID 13161571
4-{[tert-Butyl(dimethyl)silyl]oxy}-3-fluorocyclopent-2-en-1-one
CID 14177367
(4R)-2-(bromomethyl)-4-[tert-butyl(dimethyl)silyl]oxycyclopent-2-en-1-one
CID 10566481
(4R,5S)-4-[tert-butyl(dimethyl)silyl]oxy-2-ethenyl-5-methylcyclopent-2-en-1-one
CID 11149438
(4R,5S)-5-[(1E)-2,6-dimethylhepta-1,5-dienyl]-2-methyl-4-triethylsilyloxycyclopent-2-en-1-one
CID 11581069

Frequently Asked Questions

What is the IUPAC name of (5E)-4-[tert-butyl(dimethyl)silyl]oxy-5-(2-methylpropylidene)cyclopent-2-en-1-one?
The IUPAC name of (5E)-4-[tert-butyl(dimethyl)silyl]oxy-5-(2-methylpropylidene)cyclopent-2-en-1-one (CID 11369146) is (5E)-4-[tert-butyl(dimethyl)silyl]oxy-5-(2-methylpropylidene)cyclopent-2-en-1-one.
What is the SMILES notation for (5E)-4-[tert-butyl(dimethyl)silyl]oxy-5-(2-methylpropylidene)cyclopent-2-en-1-one?
The canonical SMILES for (5E)-4-[tert-butyl(dimethyl)silyl]oxy-5-(2-methylpropylidene)cyclopent-2-en-1-one is CC(C)/C=C1/C(=O)C=CC1O[Si](C)(C)C(C)(C)C.
What is the InChIKey of (5E)-4-[tert-butyl(dimethyl)silyl]oxy-5-(2-methylpropylidene)cyclopent-2-en-1-one?
The InChIKey is KDXFXRLPRKGLGV-BENRWUELSA-N. The full InChI is InChI=1S/C15H26O2Si/c1-11(2)10-12-13(16)8-9-14(12)17-18(6,7)15(3,4)5/h8-11,14H,1-7H3/b12-10-.
What are the key properties of (5E)-4-[tert-butyl(dimethyl)silyl]oxy-5-(2-methylpropylidene)cyclopent-2-en-1-one?
(5E)-4-[tert-butyl(dimethyl)silyl]oxy-5-(2-methylpropylidene)cyclopent-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 (5E)-4-[tert-butyl(dimethyl)silyl]oxy-5-(2-methylpropylidene)cyclopent-2-en-1-one is sourced from PubChem (CID 11369146), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).