4-[(E)-5-trimethylsilylpent-3-enyl]cyclohex-2-en-1-one

C14H24OSi — CID 13444889

IUPAC4-[(E)-5-trimethylsilylpent-3-enyl]cyclohex-2-en-1-one
SMILESC[Si](C)(C)C/C=C/CCC1C=CC(=O)CC1
InChIInChI=1S/C14H24OSi/c1-16(2,3)12-6-4-5-7-13-8-10-14(15)11-9-13/h4,6,8,10,13H,5,7,9,11-12H2,1-3H3/b6-4+
InChIKeyMNPDSDRNITXHIO-GQCTYLIASA-N
MW236.43 g/mol
LogP4.20
Rot. Bonds5

About 4-[(E)-5-trimethylsilylpent-3-enyl]cyclohex-2-en-1-one

4-[(E)-5-trimethylsilylpent-3-enyl]cyclohex-2-en-1-one (PubChem CID 13444889) has the molecular formula C14H24OSi and a molecular weight of 236.43 g/mol. Its IUPAC name is 4-[(E)-5-trimethylsilylpent-3-enyl]cyclohex-2-en-1-one.

Molecular Properties

Compound Name4-[(E)-5-trimethylsilylpent-3-enyl]cyclohex-2-en-1-one
PubChem CID13444889
Molecular FormulaC14H24OSi
Molecular Weight236.43 g/mol
Exact Mass236.16
IUPAC Name4-[(E)-5-trimethylsilylpent-3-enyl]cyclohex-2-en-1-one
SMILESC[Si](C)(C)C/C=C/CCC1C=CC(=O)CC1
InChIInChI=1S/C14H24OSi/c1-16(2,3)12-6-4-5-7-13-8-10-14(15)11-9-13/h4,6,8,10,13H,5,7,9,11-12H2,1-3H3/b6-4+
InChIKeyMNPDSDRNITXHIO-GQCTYLIASA-N
XLogP4.20
TPSA17.07 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500236.43
LogP ≤ 54.20
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

Analyze 4-[(E)-5-trimethylsilylpent-3-enyl]cyclohex-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

Frequently Asked Questions

What is the IUPAC name of 4-[(E)-5-trimethylsilylpent-3-enyl]cyclohex-2-en-1-one?
The IUPAC name of 4-[(E)-5-trimethylsilylpent-3-enyl]cyclohex-2-en-1-one (CID 13444889) is 4-[(E)-5-trimethylsilylpent-3-enyl]cyclohex-2-en-1-one.
What is the SMILES notation for 4-[(E)-5-trimethylsilylpent-3-enyl]cyclohex-2-en-1-one?
The canonical SMILES for 4-[(E)-5-trimethylsilylpent-3-enyl]cyclohex-2-en-1-one is C[Si](C)(C)C/C=C/CCC1C=CC(=O)CC1.
What is the InChIKey of 4-[(E)-5-trimethylsilylpent-3-enyl]cyclohex-2-en-1-one?
The InChIKey is MNPDSDRNITXHIO-GQCTYLIASA-N. The full InChI is InChI=1S/C14H24OSi/c1-16(2,3)12-6-4-5-7-13-8-10-14(15)11-9-13/h4,6,8,10,13H,5,7,9,11-12H2,1-3H3/b6-4+.
What are the key properties of 4-[(E)-5-trimethylsilylpent-3-enyl]cyclohex-2-en-1-one?
4-[(E)-5-trimethylsilylpent-3-enyl]cyclohex-2-en-1-one has a molecular weight of 236.43 g/mol, XLogP of 4.20, 5 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(E)-5-trimethylsilylpent-3-enyl]cyclohex-2-en-1-one is sourced from PubChem (CID 13444889), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).