methyl (2Z,4E)-3-[tert-butyl(dimethyl)silyl]oxyhexa-2,4-dienoate

C13H24O3Si — CID 10988907

IUPACmethyl (2Z,4E)-3-[tert-butyl(dimethyl)silyl]oxyhexa-2,4-dienoate
SMILESC/C=C/C(=C/C(=O)OC)O[Si](C)(C)C(C)(C)C
InChIInChI=1S/C13H24O3Si/c1-8-9-11(10-12(14)15-5)16-17(6,7)13(2,3)4/h8-10H,1-7H3/b9-8+,11-10-
InChIKeyKYPWDRXXAUXNFF-OCBXPSTGSA-N
MW256.42 g/mol
LogP3.64
Rot. Bonds4

About methyl (2Z,4E)-3-[tert-butyl(dimethyl)silyl]oxyhexa-2,4-dienoate

methyl (2Z,4E)-3-[tert-butyl(dimethyl)silyl]oxyhexa-2,4-dienoate (PubChem CID 10988907) has the molecular formula C13H24O3Si and a molecular weight of 256.42 g/mol. Its IUPAC name is methyl (2Z,4E)-3-[tert-butyl(dimethyl)silyl]oxyhexa-2,4-dienoate.

Molecular Properties

Compound Namemethyl (2Z,4E)-3-[tert-butyl(dimethyl)silyl]oxyhexa-2,4-dienoate
PubChem CID10988907
Molecular FormulaC13H24O3Si
Molecular Weight256.42 g/mol
Exact Mass256.15
IUPAC Namemethyl (2Z,4E)-3-[tert-butyl(dimethyl)silyl]oxyhexa-2,4-dienoate
SMILESC/C=C/C(=C/C(=O)OC)O[Si](C)(C)C(C)(C)C
InChIInChI=1S/C13H24O3Si/c1-8-9-11(10-12(14)15-5)16-17(6,7)13(2,3)4/h8-10H,1-7H3/b9-8+,11-10-
InChIKeyKYPWDRXXAUXNFF-OCBXPSTGSA-N
XLogP3.64
TPSA35.53 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500256.42
LogP ≤ 53.64
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'acyclic_C=C-O', 'substructure': 'N/A'}, {'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 methyl (2Z,4E)-3-[tert-butyl(dimethyl)silyl]oxyhexa-2,4-dienoate?
The IUPAC name of methyl (2Z,4E)-3-[tert-butyl(dimethyl)silyl]oxyhexa-2,4-dienoate (CID 10988907) is methyl (2Z,4E)-3-[tert-butyl(dimethyl)silyl]oxyhexa-2,4-dienoate.
What is the SMILES notation for methyl (2Z,4E)-3-[tert-butyl(dimethyl)silyl]oxyhexa-2,4-dienoate?
The canonical SMILES for methyl (2Z,4E)-3-[tert-butyl(dimethyl)silyl]oxyhexa-2,4-dienoate is C/C=C/C(=C/C(=O)OC)O[Si](C)(C)C(C)(C)C.
What is the InChIKey of methyl (2Z,4E)-3-[tert-butyl(dimethyl)silyl]oxyhexa-2,4-dienoate?
The InChIKey is KYPWDRXXAUXNFF-OCBXPSTGSA-N. The full InChI is InChI=1S/C13H24O3Si/c1-8-9-11(10-12(14)15-5)16-17(6,7)13(2,3)4/h8-10H,1-7H3/b9-8+,11-10-.
What are the key properties of methyl (2Z,4E)-3-[tert-butyl(dimethyl)silyl]oxyhexa-2,4-dienoate?
methyl (2Z,4E)-3-[tert-butyl(dimethyl)silyl]oxyhexa-2,4-dienoate has a molecular weight of 256.42 g/mol, XLogP of 3.64, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for methyl (2Z,4E)-3-[tert-butyl(dimethyl)silyl]oxyhexa-2,4-dienoate is sourced from PubChem (CID 10988907), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).