ethyl 2-methyl-4-(trimethylsilylmethyl)pent-4-enoate

C12H24O2Si — CID 10680893

IUPACethyl 2-methyl-4-(trimethylsilylmethyl)pent-4-enoate
SMILESC=C(CC(C)C(=O)OCC)C[Si](C)(C)C
InChIInChI=1S/C12H24O2Si/c1-7-14-12(13)11(3)8-10(2)9-15(4,5)6/h11H,2,7-9H2,1,3-6H3
InChIKeyMQDUIPIJRFISPE-UHFFFAOYSA-N
MW228.41 g/mol
LogP3.47
Rot. Bonds6

About ethyl 2-methyl-4-(trimethylsilylmethyl)pent-4-enoate

ethyl 2-methyl-4-(trimethylsilylmethyl)pent-4-enoate (PubChem CID 10680893) has the molecular formula C12H24O2Si and a molecular weight of 228.41 g/mol. Its IUPAC name is ethyl 2-methyl-4-(trimethylsilylmethyl)pent-4-enoate.

Molecular Properties

Compound Nameethyl 2-methyl-4-(trimethylsilylmethyl)pent-4-enoate
PubChem CID10680893
Molecular FormulaC12H24O2Si
Molecular Weight228.41 g/mol
Exact Mass228.15
IUPAC Nameethyl 2-methyl-4-(trimethylsilylmethyl)pent-4-enoate
SMILESC=C(CC(C)C(=O)OCC)C[Si](C)(C)C
InChIInChI=1S/C12H24O2Si/c1-7-14-12(13)11(3)8-10(2)9-15(4,5)6/h11H,2,7-9H2,1,3-6H3
InChIKeyMQDUIPIJRFISPE-UHFFFAOYSA-N
XLogP3.47
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500228.41
LogP ≤ 53.47
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

Analyze ethyl 2-methyl-4-(trimethylsilylmethyl)pent-4-enoate 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

4-Pentenoic acid, 4-[(trimethylsilyl)methyl]-, ethyl ester
CID 11020263
3-[2-(Trimethylsilylmethyl)prop-2-enyl]oxan-2-one
CID 10751748
ethyl (E)-3,7-dimethyl-8-trimethylsilyloct-6-enoate
CID 11231042
Ethyl 4-triethylsilylcyclohex-3-ene-1-carboxylate
CID 12448645
Ethyl 3-triethylsilylcyclohex-3-ene-1-carboxylate
CID 12448646
Ethyl 3,7-dimethyl-8-trimethylsilyloct-6-enoate
CID 72761153
Ethyl 2,3,4-trimethylpent-4-enoate
CID 101400101
pent-4-enyl (2R)-2,4-dimethylpent-4-enoate
CID 135013012
(3S)-3-[2-(trimethylsilylmethyl)prop-2-enyl]oxolan-2-one
CID 162404388
3-Methylbut-3-enyl 2-methylpentanoate
CID 170849350
5-Heptenoic acid, 6-methyl-2-(1,1,1-trimethylsilyl)-, ethyl ester
CID 543913
4-Pentenecarboxylic acid, 2-methyl-3-methylene-4-trimethylsilyl-, methyl ester
CID 553446

Frequently Asked Questions

What is the IUPAC name of ethyl 2-methyl-4-(trimethylsilylmethyl)pent-4-enoate?
The IUPAC name of ethyl 2-methyl-4-(trimethylsilylmethyl)pent-4-enoate (CID 10680893) is ethyl 2-methyl-4-(trimethylsilylmethyl)pent-4-enoate.
What is the SMILES notation for ethyl 2-methyl-4-(trimethylsilylmethyl)pent-4-enoate?
The canonical SMILES for ethyl 2-methyl-4-(trimethylsilylmethyl)pent-4-enoate is C=C(CC(C)C(=O)OCC)C[Si](C)(C)C.
What is the InChIKey of ethyl 2-methyl-4-(trimethylsilylmethyl)pent-4-enoate?
The InChIKey is MQDUIPIJRFISPE-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H24O2Si/c1-7-14-12(13)11(3)8-10(2)9-15(4,5)6/h11H,2,7-9H2,1,3-6H3.
What are the key properties of ethyl 2-methyl-4-(trimethylsilylmethyl)pent-4-enoate?
ethyl 2-methyl-4-(trimethylsilylmethyl)pent-4-enoate has a molecular weight of 228.41 g/mol, XLogP of 3.47, 6 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 2-methyl-4-(trimethylsilylmethyl)pent-4-enoate is sourced from PubChem (CID 10680893), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).