ethyl (E)-2-trimethylsilylpent-3-enoate

C10H20O2Si — CID 13217741

IUPACethyl (E)-2-trimethylsilylpent-3-enoate
SMILESC/C=C/C(C(=O)OCC)[Si](C)(C)C
InChIInChI=1S/C10H20O2Si/c1-6-8-9(13(3,4)5)10(11)12-7-2/h6,8-9H,7H2,1-5H3/b8-6+
InChIKeyJZKCAGZYQGSTIF-SOFGYWHQSA-N
MW200.35 g/mol
LogP2.83
Rot. Bonds4

About ethyl (E)-2-trimethylsilylpent-3-enoate

ethyl (E)-2-trimethylsilylpent-3-enoate (PubChem CID 13217741) has the molecular formula C10H20O2Si and a molecular weight of 200.35 g/mol. Its IUPAC name is ethyl (E)-2-trimethylsilylpent-3-enoate.

Molecular Properties

Compound Nameethyl (E)-2-trimethylsilylpent-3-enoate
PubChem CID13217741
Molecular FormulaC10H20O2Si
Molecular Weight200.35 g/mol
Exact Mass200.12
IUPAC Nameethyl (E)-2-trimethylsilylpent-3-enoate
SMILESC/C=C/C(C(=O)OCC)[Si](C)(C)C
InChIInChI=1S/C10H20O2Si/c1-6-8-9(13(3,4)5)10(11)12-7-2/h6,8-9H,7H2,1-5H3/b8-6+
InChIKeyJZKCAGZYQGSTIF-SOFGYWHQSA-N
XLogP2.83
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500200.35
LogP ≤ 52.83
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 (E)-2-trimethylsilylpent-3-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

cis-3-Hexenyl propionate
CID 5365049
Ethyl 3-hexenoate
CID 5362622
Ethyl 3-hexenoate, (3Z)-
CID 5362623
Hex-3Z-enyl hex-3Z-enoate
CID 6435882
3,6-Nonadienyl acetate, (3E,6Z)-
CID 71587638
3,6-Nonadienyl acetate, (3Z,6Z)-
CID 71587306
3,6-Nonadien-1-ol, 1-acetate
CID 166486
Butyl (3E)-hex-3-enoate
CID 87287812
(E)-Hex-3-enyl propionate
CID 5352977
Ethyl-3-hexanoate
CID 61312
3-Hexenoic acid, (3Z)-3-hexenyl ester, (3Z)-
CID 62184
3,6-Nonadienyl acetate
CID 6429325

Frequently Asked Questions

What is the IUPAC name of ethyl (E)-2-trimethylsilylpent-3-enoate?
The IUPAC name of ethyl (E)-2-trimethylsilylpent-3-enoate (CID 13217741) is ethyl (E)-2-trimethylsilylpent-3-enoate.
What is the SMILES notation for ethyl (E)-2-trimethylsilylpent-3-enoate?
The canonical SMILES for ethyl (E)-2-trimethylsilylpent-3-enoate is C/C=C/C(C(=O)OCC)[Si](C)(C)C.
What is the InChIKey of ethyl (E)-2-trimethylsilylpent-3-enoate?
The InChIKey is JZKCAGZYQGSTIF-SOFGYWHQSA-N. The full InChI is InChI=1S/C10H20O2Si/c1-6-8-9(13(3,4)5)10(11)12-7-2/h6,8-9H,7H2,1-5H3/b8-6+.
What are the key properties of ethyl (E)-2-trimethylsilylpent-3-enoate?
ethyl (E)-2-trimethylsilylpent-3-enoate has a molecular weight of 200.35 g/mol, XLogP of 2.83, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl (E)-2-trimethylsilylpent-3-enoate is sourced from PubChem (CID 13217741), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).