dimethyl 2-[(2E)-4-triethylsilylpenta-2,4-dienyl]propanedioate

C16H28O4Si — CID 102529977

IUPACdimethyl 2-[(2E)-4-triethylsilylpenta-2,4-dienyl]propanedioate
SMILESC=C(/C=C/CC(C(=O)OC)C(=O)OC)[Si](CC)(CC)CC
InChIInChI=1S/C16H28O4Si/c1-7-21(8-2,9-3)13(4)11-10-12-14(15(17)19-5)16(18)20-6/h10-11,14H,4,7-9,12H2,1-3,5-6H3/b11-10+
InChIKeyKHINBTSNIUSXRR-ZHACJKMWSA-N
MW312.48 g/mol
LogP3.50
Rot. Bonds9

About dimethyl 2-[(2E)-4-triethylsilylpenta-2,4-dienyl]propanedioate

dimethyl 2-[(2E)-4-triethylsilylpenta-2,4-dienyl]propanedioate (PubChem CID 102529977) has the molecular formula C16H28O4Si and a molecular weight of 312.48 g/mol. Its IUPAC name is dimethyl 2-[(2E)-4-triethylsilylpenta-2,4-dienyl]propanedioate.

Molecular Properties

Compound Namedimethyl 2-[(2E)-4-triethylsilylpenta-2,4-dienyl]propanedioate
PubChem CID102529977
Molecular FormulaC16H28O4Si
Molecular Weight312.48 g/mol
Exact Mass312.18
IUPAC Namedimethyl 2-[(2E)-4-triethylsilylpenta-2,4-dienyl]propanedioate
SMILESC=C(/C=C/CC(C(=O)OC)C(=O)OC)[Si](CC)(CC)CC
InChIInChI=1S/C16H28O4Si/c1-7-21(8-2,9-3)13(4)11-10-12-14(15(17)19-5)16(18)20-6/h10-11,14H,4,7-9,12H2,1-3,5-6H3/b11-10+
InChIKeyKHINBTSNIUSXRR-ZHACJKMWSA-N
XLogP3.50
TPSA52.60 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds9
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500312.48
LogP ≤ 53.50
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'beta-keto/anhydride', 'substructure': 'N/A'}, {'alert_name': 'heavy_metal', 'substructure': 'N/A'}, {'alert_name': 'polyene', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of dimethyl 2-[(2E)-4-triethylsilylpenta-2,4-dienyl]propanedioate?
The IUPAC name of dimethyl 2-[(2E)-4-triethylsilylpenta-2,4-dienyl]propanedioate (CID 102529977) is dimethyl 2-[(2E)-4-triethylsilylpenta-2,4-dienyl]propanedioate.
What is the SMILES notation for dimethyl 2-[(2E)-4-triethylsilylpenta-2,4-dienyl]propanedioate?
The canonical SMILES for dimethyl 2-[(2E)-4-triethylsilylpenta-2,4-dienyl]propanedioate is C=C(/C=C/CC(C(=O)OC)C(=O)OC)[Si](CC)(CC)CC.
What is the InChIKey of dimethyl 2-[(2E)-4-triethylsilylpenta-2,4-dienyl]propanedioate?
The InChIKey is KHINBTSNIUSXRR-ZHACJKMWSA-N. The full InChI is InChI=1S/C16H28O4Si/c1-7-21(8-2,9-3)13(4)11-10-12-14(15(17)19-5)16(18)20-6/h10-11,14H,4,7-9,12H2,1-3,5-6H3/b11-10+.
What are the key properties of dimethyl 2-[(2E)-4-triethylsilylpenta-2,4-dienyl]propanedioate?
dimethyl 2-[(2E)-4-triethylsilylpenta-2,4-dienyl]propanedioate has a molecular weight of 312.48 g/mol, XLogP of 3.50, 9 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for dimethyl 2-[(2E)-4-triethylsilylpenta-2,4-dienyl]propanedioate is sourced from PubChem (CID 102529977), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).