5-methylsilylpent-4-enyl 2,2-dimethylpropanoate

C11H22O2Si — CID 123639896

IUPAC5-methylsilylpent-4-enyl 2,2-dimethylpropanoate
SMILESC[SiH2]C=CCCCOC(=O)C(C)(C)C
InChIInChI=1S/C11H22O2Si/c1-11(2,3)10(12)13-8-6-5-7-9-14-4/h7,9H,5-6,8,14H2,1-4H3
InChIKeyJDOXCQQZZKNJPW-UHFFFAOYSA-N
MW214.38 g/mol
LogP2.09
Rot. Bonds5

About 5-methylsilylpent-4-enyl 2,2-dimethylpropanoate

5-methylsilylpent-4-enyl 2,2-dimethylpropanoate (PubChem CID 123639896) has the molecular formula C11H22O2Si and a molecular weight of 214.38 g/mol. Its IUPAC name is 5-methylsilylpent-4-enyl 2,2-dimethylpropanoate.

Molecular Properties

Compound Name5-methylsilylpent-4-enyl 2,2-dimethylpropanoate
PubChem CID123639896
Molecular FormulaC11H22O2Si
Molecular Weight214.38 g/mol
Exact Mass214.14
IUPAC Name5-methylsilylpent-4-enyl 2,2-dimethylpropanoate
SMILESC[SiH2]C=CCCCOC(=O)C(C)(C)C
InChIInChI=1S/C11H22O2Si/c1-11(2,3)10(12)13-8-6-5-7-9-14-4/h7,9H,5-6,8,14H2,1-4H3
InChIKeyJDOXCQQZZKNJPW-UHFFFAOYSA-N
XLogP2.09
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500214.38
LogP ≤ 52.09
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

Analyze 5-methylsilylpent-4-enyl 2,2-dimethylpropanoate 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

Methyl 3-(trimethylsilyl)-4-pentenoate
CID 3385579
ethyl (E)-4-trimethylsilylbut-3-enoate
CID 11769253
Pent-4-enyl 2,2-dimethylpropanoate
CID 11229043
Ethyl 2-trimethylsilylbut-3-enoate
CID 13658179
[(E)-6-[tert-butyl(dimethyl)silyl]oxyhex-5-enyl] 2,2-dimethylpropanoate
CID 53304622
[(E)-6-trimethylsilylhex-4-enyl] 2,2-dimethylpropanoate
CID 102486405
[(E)-5-trimethylsilylpent-3-enyl] 2,2-dimethylpropanoate
CID 102486407
[(E)-6-[tert-butyl(dimethyl)silyl]oxyhex-5-enyl] acetate
CID 134944492
ethyl (Z)-5-[dimethoxy(methyl)silyl]-2-methylpent-4-enoate
CID 135075742
Ethyl 2-triethylsilylbut-3-enoate
CID 145865774
3-(Trimethylsilyl)-4-pentenoic acid ethyl ester
CID 14214593
2-Trimethylsilylethyl pent-4-enoate
CID 15360091

Frequently Asked Questions

What is the IUPAC name of 5-methylsilylpent-4-enyl 2,2-dimethylpropanoate?
The IUPAC name of 5-methylsilylpent-4-enyl 2,2-dimethylpropanoate (CID 123639896) is 5-methylsilylpent-4-enyl 2,2-dimethylpropanoate.
What is the SMILES notation for 5-methylsilylpent-4-enyl 2,2-dimethylpropanoate?
The canonical SMILES for 5-methylsilylpent-4-enyl 2,2-dimethylpropanoate is C[SiH2]C=CCCCOC(=O)C(C)(C)C.
What is the InChIKey of 5-methylsilylpent-4-enyl 2,2-dimethylpropanoate?
The InChIKey is JDOXCQQZZKNJPW-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H22O2Si/c1-11(2,3)10(12)13-8-6-5-7-9-14-4/h7,9H,5-6,8,14H2,1-4H3.
What are the key properties of 5-methylsilylpent-4-enyl 2,2-dimethylpropanoate?
5-methylsilylpent-4-enyl 2,2-dimethylpropanoate has a molecular weight of 214.38 g/mol, XLogP of 2.09, 5 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-methylsilylpent-4-enyl 2,2-dimethylpropanoate is sourced from PubChem (CID 123639896), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).