ethyl-dimethyl-phenylsilane;(2E,4E)-hexa-2,4-dienoic acid

C16H24O2Si — CID 175319879

IUPACethyl-dimethyl-phenylsilane;(2E,4E)-hexa-2,4-dienoic acid
SMILESC/C=C/C=C/C(=O)O.CC[Si](C)(C)c1ccccc1
InChIInChI=1S/C10H16Si.C6H8O2/c1-4-11(2,3)10-8-6-5-7-9-10;1-2-3-4-5-6(7)8/h5-9H,4H2,1-3H3;2-5H,1H3,(H,7,8)/b;3-2+,5-4+
InChIKeyDZGKNOAQHLHLPC-PLKIVWSFSA-N
MW276.45 g/mol
LogP3.83
Rot. Bonds4

About ethyl-dimethyl-phenylsilane;(2E,4E)-hexa-2,4-dienoic acid

ethyl-dimethyl-phenylsilane;(2E,4E)-hexa-2,4-dienoic acid (PubChem CID 175319879) has the molecular formula C16H24O2Si and a molecular weight of 276.45 g/mol. Its IUPAC name is ethyl-dimethyl-phenylsilane;(2E,4E)-hexa-2,4-dienoic acid.

Molecular Properties

Compound Nameethyl-dimethyl-phenylsilane;(2E,4E)-hexa-2,4-dienoic acid
PubChem CID175319879
Molecular FormulaC16H24O2Si
Molecular Weight276.45 g/mol
Exact Mass276.15
IUPAC Nameethyl-dimethyl-phenylsilane;(2E,4E)-hexa-2,4-dienoic acid
SMILESC/C=C/C=C/C(=O)O.CC[Si](C)(C)c1ccccc1
InChIInChI=1S/C10H16Si.C6H8O2/c1-4-11(2,3)10-8-6-5-7-9-10;1-2-3-4-5-6(7)8/h5-9H,4H2,1-3H3;2-5H,1H3,(H,7,8)/b;3-2+,5-4+
InChIKeyDZGKNOAQHLHLPC-PLKIVWSFSA-N
XLogP3.83
TPSA37.30 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500276.45
LogP ≤ 53.83
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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

benzene;hexa-2,4-dienoic acid
CID 173310837
benzoic acid;ethanol;hexa-2,4-dienoic acid
CID 173357087
benzoic acid;hexa-2,4-dienoic acid;propanoic acid
CID 87243555
(2E,4E)-hexa-2,4-dienoic acid;hydrogen peroxide
CID 22237716
hexacosapotassium;tris(hexa-2,4-dienoic acid)
CID 173324398
bis((2E,4E)-hexa-2,4-dienoic acid);hydrate
CID 175549543
hexa-2,4-dienoic acid;sulfane
CID 173071228
henhexacontapotassium;hexakis(hexa-2,4-dienoic acid)
CID 173299279
(2E,4E)-hexa-2,4-dienoic acid;neodymium
CID 175104314
azane;(2E,4E)-hexa-2,4-dienoic acid;3-phenylpropan-1-ol
CID 174845810
(2E,4E)-hexa-2,4-dienoic acid;2-phenylpyridine
CID 175021923
strontium;(2E,4E)-hexa-2,4-dienoic acid;hydride
CID 173012904

Frequently Asked Questions

What is the IUPAC name of ethyl-dimethyl-phenylsilane;(2E,4E)-hexa-2,4-dienoic acid?
The IUPAC name of ethyl-dimethyl-phenylsilane;(2E,4E)-hexa-2,4-dienoic acid (CID 175319879) is ethyl-dimethyl-phenylsilane;(2E,4E)-hexa-2,4-dienoic acid.
What is the SMILES notation for ethyl-dimethyl-phenylsilane;(2E,4E)-hexa-2,4-dienoic acid?
The canonical SMILES for ethyl-dimethyl-phenylsilane;(2E,4E)-hexa-2,4-dienoic acid is C/C=C/C=C/C(=O)O.CC[Si](C)(C)c1ccccc1.
What is the InChIKey of ethyl-dimethyl-phenylsilane;(2E,4E)-hexa-2,4-dienoic acid?
The InChIKey is DZGKNOAQHLHLPC-PLKIVWSFSA-N. The full InChI is InChI=1S/C10H16Si.C6H8O2/c1-4-11(2,3)10-8-6-5-7-9-10;1-2-3-4-5-6(7)8/h5-9H,4H2,1-3H3;2-5H,1H3,(H,7,8)/b;3-2+,5-4+.
What are the key properties of ethyl-dimethyl-phenylsilane;(2E,4E)-hexa-2,4-dienoic acid?
ethyl-dimethyl-phenylsilane;(2E,4E)-hexa-2,4-dienoic acid has a molecular weight of 276.45 g/mol, XLogP of 3.83, 4 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl-dimethyl-phenylsilane;(2E,4E)-hexa-2,4-dienoic acid is sourced from PubChem (CID 175319879), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).