(2Z,4E)-2-trimethylsilylhexa-2,4-dienoic acid

C9H16O2Si — CID 21160716

IUPAC(2Z,4E)-2-trimethylsilylhexa-2,4-dienoic acid
SMILESC/C=C/C=C(/C(=O)O)[Si](C)(C)C
InChIInChI=1S/C9H16O2Si/c1-5-6-7-8(9(10)11)12(2,3)4/h5-7H,1-4H3,(H,10,11)/b6-5+,8-7-
InChIKeyLHPIVTAGPMGCAK-MDAAKZFYSA-N
MW184.31 g/mol
LogP2.45
Rot. Bonds3

About (2Z,4E)-2-trimethylsilylhexa-2,4-dienoic acid

(2Z,4E)-2-trimethylsilylhexa-2,4-dienoic acid (PubChem CID 21160716) has the molecular formula C9H16O2Si and a molecular weight of 184.31 g/mol. Its IUPAC name is (2Z,4E)-2-trimethylsilylhexa-2,4-dienoic acid.

Molecular Properties

Compound Name(2Z,4E)-2-trimethylsilylhexa-2,4-dienoic acid
PubChem CID21160716
Molecular FormulaC9H16O2Si
Molecular Weight184.31 g/mol
Exact Mass184.09
IUPAC Name(2Z,4E)-2-trimethylsilylhexa-2,4-dienoic acid
SMILESC/C=C/C=C(/C(=O)O)[Si](C)(C)C
InChIInChI=1S/C9H16O2Si/c1-5-6-7-8(9(10)11)12(2,3)4/h5-7H,1-4H3,(H,10,11)/b6-5+,8-7-
InChIKeyLHPIVTAGPMGCAK-MDAAKZFYSA-N
XLogP2.45
TPSA37.30 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500184.31
LogP ≤ 52.45
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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Frequently Asked Questions

What is the IUPAC name of (2Z,4E)-2-trimethylsilylhexa-2,4-dienoic acid?
The IUPAC name of (2Z,4E)-2-trimethylsilylhexa-2,4-dienoic acid (CID 21160716) is (2Z,4E)-2-trimethylsilylhexa-2,4-dienoic acid.
What is the SMILES notation for (2Z,4E)-2-trimethylsilylhexa-2,4-dienoic acid?
The canonical SMILES for (2Z,4E)-2-trimethylsilylhexa-2,4-dienoic acid is C/C=C/C=C(/C(=O)O)[Si](C)(C)C.
What is the InChIKey of (2Z,4E)-2-trimethylsilylhexa-2,4-dienoic acid?
The InChIKey is LHPIVTAGPMGCAK-MDAAKZFYSA-N. The full InChI is InChI=1S/C9H16O2Si/c1-5-6-7-8(9(10)11)12(2,3)4/h5-7H,1-4H3,(H,10,11)/b6-5+,8-7-.
What are the key properties of (2Z,4E)-2-trimethylsilylhexa-2,4-dienoic acid?
(2Z,4E)-2-trimethylsilylhexa-2,4-dienoic acid has a molecular weight of 184.31 g/mol, XLogP of 2.45, 3 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (2Z,4E)-2-trimethylsilylhexa-2,4-dienoic acid is sourced from PubChem (CID 21160716), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).