ethyl (Z)-2-[(E)-2-trimethylsilylethenyl]pent-2-enoate

C12H22O2Si — CID 146018217

IUPACethyl (Z)-2-[(E)-2-trimethylsilylethenyl]pent-2-enoate
SMILESCC/C=C(/C=C/[Si](C)(C)C)C(=O)OCC
InChIInChI=1S/C12H22O2Si/c1-6-8-11(12(13)14-7-2)9-10-15(3,4)5/h8-10H,6-7H2,1-5H3/b10-9+,11-8-
InChIKeyBDCRDRTVWSTHOJ-PGGWCAKNSA-N
MW226.39 g/mol
LogP3.32
Rot. Bonds5

About ethyl (Z)-2-[(E)-2-trimethylsilylethenyl]pent-2-enoate

ethyl (Z)-2-[(E)-2-trimethylsilylethenyl]pent-2-enoate (PubChem CID 146018217) has the molecular formula C12H22O2Si and a molecular weight of 226.39 g/mol. Its IUPAC name is ethyl (Z)-2-[(E)-2-trimethylsilylethenyl]pent-2-enoate.

Molecular Properties

Compound Nameethyl (Z)-2-[(E)-2-trimethylsilylethenyl]pent-2-enoate
PubChem CID146018217
Molecular FormulaC12H22O2Si
Molecular Weight226.39 g/mol
Exact Mass226.14
IUPAC Nameethyl (Z)-2-[(E)-2-trimethylsilylethenyl]pent-2-enoate
SMILESCC/C=C(/C=C/[Si](C)(C)C)C(=O)OCC
InChIInChI=1S/C12H22O2Si/c1-6-8-11(12(13)14-7-2)9-10-15(3,4)5/h8-10H,6-7H2,1-5H3/b10-9+,11-8-
InChIKeyBDCRDRTVWSTHOJ-PGGWCAKNSA-N
XLogP3.32
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500226.39
LogP ≤ 53.32
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'}

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Related Compounds

Hexenyl tiglate, (3Z)-
CID 15461361
2-Butenoic acid, 2-methyl-, (3Z)-3-hexenyl ester, (2Z)-
CID 16220109
(E)-Hex-3-enyl (E)-2-methylbut-2-enoate
CID 6034479
2-Pentenoic acid, 2-methyl-, (3Z)-3-hexenyl ester
CID 6441873
3-Hexenyl tiglate
CID 87289898
(3Z)-3-Hexen-1-yl 2-methyl-2-pentenoate
CID 73013252
Pestalafuranone F
CID 139583515
(z)-3-Hexen-1-yl 2-methyl-2-butenoate
CID 92034051
Ethyl e,e-2,4-dimethylhepta-2,4-dienoate
CID 11019497
ethyl-(2E,4E,6E)-3,7-dimethyl-8-oxo-octatrienoate
CID 12875232
ethyl (E)-5-[tert-butyl(dimethyl)silyl]oxypent-2-enoate
CID 5468981
Hex-3-en-1-yl 2-methylbut-2-enoate
CID 49993

Frequently Asked Questions

What is the IUPAC name of ethyl (Z)-2-[(E)-2-trimethylsilylethenyl]pent-2-enoate?
The IUPAC name of ethyl (Z)-2-[(E)-2-trimethylsilylethenyl]pent-2-enoate (CID 146018217) is ethyl (Z)-2-[(E)-2-trimethylsilylethenyl]pent-2-enoate.
What is the SMILES notation for ethyl (Z)-2-[(E)-2-trimethylsilylethenyl]pent-2-enoate?
The canonical SMILES for ethyl (Z)-2-[(E)-2-trimethylsilylethenyl]pent-2-enoate is CC/C=C(/C=C/[Si](C)(C)C)C(=O)OCC.
What is the InChIKey of ethyl (Z)-2-[(E)-2-trimethylsilylethenyl]pent-2-enoate?
The InChIKey is BDCRDRTVWSTHOJ-PGGWCAKNSA-N. The full InChI is InChI=1S/C12H22O2Si/c1-6-8-11(12(13)14-7-2)9-10-15(3,4)5/h8-10H,6-7H2,1-5H3/b10-9+,11-8-.
What are the key properties of ethyl (Z)-2-[(E)-2-trimethylsilylethenyl]pent-2-enoate?
ethyl (Z)-2-[(E)-2-trimethylsilylethenyl]pent-2-enoate has a molecular weight of 226.39 g/mol, XLogP of 3.32, 5 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl (Z)-2-[(E)-2-trimethylsilylethenyl]pent-2-enoate is sourced from PubChem (CID 146018217), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).