methyl (2E,4E)-5-trimethylsilylpenta-2,4-dienoate

C9H16O2Si — CID 14175468

IUPACmethyl (2E,4E)-5-trimethylsilylpenta-2,4-dienoate
SMILESCOC(=O)/C=C/C=C/[Si](C)(C)C
InChIInChI=1S/C9H16O2Si/c1-11-9(10)7-5-6-8-12(2,3)4/h5-8H,1-4H3/b7-5+,8-6+
InChIKeyDLOBNMMSBXDAKB-KQQUZDAGSA-N
MW184.31 g/mol
LogP2.15
Rot. Bonds3

About methyl (2E,4E)-5-trimethylsilylpenta-2,4-dienoate

methyl (2E,4E)-5-trimethylsilylpenta-2,4-dienoate (PubChem CID 14175468) has the molecular formula C9H16O2Si and a molecular weight of 184.31 g/mol. Its IUPAC name is methyl (2E,4E)-5-trimethylsilylpenta-2,4-dienoate.

Molecular Properties

Compound Namemethyl (2E,4E)-5-trimethylsilylpenta-2,4-dienoate
PubChem CID14175468
Molecular FormulaC9H16O2Si
Molecular Weight184.31 g/mol
Exact Mass184.09
IUPAC Namemethyl (2E,4E)-5-trimethylsilylpenta-2,4-dienoate
SMILESCOC(=O)/C=C/C=C/[Si](C)(C)C
InChIInChI=1S/C9H16O2Si/c1-11-9(10)7-5-6-8-12(2,3)4/h5-8H,1-4H3/b7-5+,8-6+
InChIKeyDLOBNMMSBXDAKB-KQQUZDAGSA-N
XLogP2.15
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500184.31
LogP ≤ 52.15
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'}, {'alert_name': 'polyene', 'substructure': 'N/A'}

Analyze methyl (2E,4E)-5-trimethylsilylpenta-2,4-dienoate 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

2,4-Hexadienoic acid, 3-(trimethoxysilyl)propyl ester, (2E,4E)-
CID 58361202
2,4-Hexadienoic acid, 3-(trimethoxysilyl)propyl ester
CID 76734167
Methyl 5-(trimethylsilyl)pent-2-EN-4-ynoate
CID 12842677
Sorbic acid, trimethylsilyl ester
CID 5374175
(5Z)-5-[(E)-3-trimethylsilylprop-2-enylidene]furan-2-one
CID 11194895
ethyl (E)-4-trimethylsilylbut-2-enoate
CID 13185411
Methyl 2,4,6-heptatrienoate
CID 556314
(E)-4-[[(1,1-Dimethylethyl)dimethylsilyl]oxy]-2-butenoic Acid Ethyl Ester
CID 10490523
ethyl 5-trimethylsilyl-(E)-2-penten-4-ynoate
CID 12398706
methyl (E)-4-[tert-butyl(dimethyl)silyl]oxybut-2-enoate
CID 20767020
3-Methylacryloxypropyltrimethoxysilane
CID 54181231
Methylacryloxypropyl triethoxysilane
CID 54397623

Frequently Asked Questions

What is the IUPAC name of methyl (2E,4E)-5-trimethylsilylpenta-2,4-dienoate?
The IUPAC name of methyl (2E,4E)-5-trimethylsilylpenta-2,4-dienoate (CID 14175468) is methyl (2E,4E)-5-trimethylsilylpenta-2,4-dienoate.
What is the SMILES notation for methyl (2E,4E)-5-trimethylsilylpenta-2,4-dienoate?
The canonical SMILES for methyl (2E,4E)-5-trimethylsilylpenta-2,4-dienoate is COC(=O)/C=C/C=C/[Si](C)(C)C.
What is the InChIKey of methyl (2E,4E)-5-trimethylsilylpenta-2,4-dienoate?
The InChIKey is DLOBNMMSBXDAKB-KQQUZDAGSA-N. The full InChI is InChI=1S/C9H16O2Si/c1-11-9(10)7-5-6-8-12(2,3)4/h5-8H,1-4H3/b7-5+,8-6+.
What are the key properties of methyl (2E,4E)-5-trimethylsilylpenta-2,4-dienoate?
methyl (2E,4E)-5-trimethylsilylpenta-2,4-dienoate has a molecular weight of 184.31 g/mol, XLogP of 2.15, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for methyl (2E,4E)-5-trimethylsilylpenta-2,4-dienoate is sourced from PubChem (CID 14175468), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).