(2E,4E)-7-[tert-butyl(dimethyl)silyl]oxyocta-2,4-dienoic acid

C14H26O3Si — CID 5366891

IUPAC(2E,4E)-7-[tert-butyl(dimethyl)silyl]oxyocta-2,4-dienoic acid
SMILESCC(C/C=C/C=C/C(=O)O)O[Si](C)(C)C(C)(C)C
InChIInChI=1S/C14H26O3Si/c1-12(10-8-7-9-11-13(15)16)17-18(5,6)14(2,3)4/h7-9,11-12H,10H2,1-6H3,(H,15,16)/b8-7+,11-9+
InChIKeyZRYUGFRYVSIFSN-MFDVASPDSA-N
MW270.44 g/mol
LogP3.98
Rot. Bonds6

About (2E,4E)-7-[tert-butyl(dimethyl)silyl]oxyocta-2,4-dienoic acid

(2E,4E)-7-[tert-butyl(dimethyl)silyl]oxyocta-2,4-dienoic acid (PubChem CID 5366891) has the molecular formula C14H26O3Si and a molecular weight of 270.44 g/mol. Its IUPAC name is (2E,4E)-7-[tert-butyl(dimethyl)silyl]oxyocta-2,4-dienoic acid.

Molecular Properties

Compound Name(2E,4E)-7-[tert-butyl(dimethyl)silyl]oxyocta-2,4-dienoic acid
PubChem CID5366891
Molecular FormulaC14H26O3Si
Molecular Weight270.44 g/mol
Exact Mass270.17
IUPAC Name(2E,4E)-7-[tert-butyl(dimethyl)silyl]oxyocta-2,4-dienoic acid
SMILESCC(C/C=C/C=C/C(=O)O)O[Si](C)(C)C(C)(C)C
InChIInChI=1S/C14H26O3Si/c1-12(10-8-7-9-11-13(15)16)17-18(5,6)14(2,3)4/h7-9,11-12H,10H2,1-6H3,(H,15,16)/b8-7+,11-9+
InChIKeyZRYUGFRYVSIFSN-MFDVASPDSA-N
XLogP3.98
TPSA46.53 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500270.44
LogP ≤ 53.98
H-Bond Donors ≤ 51
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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Frequently Asked Questions

What is the IUPAC name of (2E,4E)-7-[tert-butyl(dimethyl)silyl]oxyocta-2,4-dienoic acid?
The IUPAC name of (2E,4E)-7-[tert-butyl(dimethyl)silyl]oxyocta-2,4-dienoic acid (CID 5366891) is (2E,4E)-7-[tert-butyl(dimethyl)silyl]oxyocta-2,4-dienoic acid.
What is the SMILES notation for (2E,4E)-7-[tert-butyl(dimethyl)silyl]oxyocta-2,4-dienoic acid?
The canonical SMILES for (2E,4E)-7-[tert-butyl(dimethyl)silyl]oxyocta-2,4-dienoic acid is CC(C/C=C/C=C/C(=O)O)O[Si](C)(C)C(C)(C)C.
What is the InChIKey of (2E,4E)-7-[tert-butyl(dimethyl)silyl]oxyocta-2,4-dienoic acid?
The InChIKey is ZRYUGFRYVSIFSN-MFDVASPDSA-N. The full InChI is InChI=1S/C14H26O3Si/c1-12(10-8-7-9-11-13(15)16)17-18(5,6)14(2,3)4/h7-9,11-12H,10H2,1-6H3,(H,15,16)/b8-7+,11-9+.
What are the key properties of (2E,4E)-7-[tert-butyl(dimethyl)silyl]oxyocta-2,4-dienoic acid?
(2E,4E)-7-[tert-butyl(dimethyl)silyl]oxyocta-2,4-dienoic acid has a molecular weight of 270.44 g/mol, XLogP of 3.98, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (2E,4E)-7-[tert-butyl(dimethyl)silyl]oxyocta-2,4-dienoic acid is sourced from PubChem (CID 5366891), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).