dimethyl 2-deca-2,3-dienyl-2-(3-trimethylsilylprop-2-ynyl)propanedioate

C21H34O4Si — CID 101219653

IUPACdimethyl 2-deca-2,3-dienyl-2-(3-trimethylsilylprop-2-ynyl)propanedioate
SMILESCCCCCCC=C=CCC(CC#C[Si](C)(C)C)(C(=O)OC)C(=O)OC
InChIInChI=1S/C21H34O4Si/c1-7-8-9-10-11-12-13-14-16-21(19(22)24-2,20(23)25-3)17-15-18-26(4,5)6/h12,14H,7-11,16-17H2,1-6H3
InChIKeyUNMCXRMXMOPJMH-UHFFFAOYSA-N
MW378.59 g/mol
LogP4.66
Rot. Bonds10

About dimethyl 2-deca-2,3-dienyl-2-(3-trimethylsilylprop-2-ynyl)propanedioate

dimethyl 2-deca-2,3-dienyl-2-(3-trimethylsilylprop-2-ynyl)propanedioate (PubChem CID 101219653) has the molecular formula C21H34O4Si and a molecular weight of 378.59 g/mol. Its IUPAC name is dimethyl 2-deca-2,3-dienyl-2-(3-trimethylsilylprop-2-ynyl)propanedioate.

Molecular Properties

Compound Namedimethyl 2-deca-2,3-dienyl-2-(3-trimethylsilylprop-2-ynyl)propanedioate
PubChem CID101219653
Molecular FormulaC21H34O4Si
Molecular Weight378.59 g/mol
Exact Mass378.22
IUPAC Namedimethyl 2-deca-2,3-dienyl-2-(3-trimethylsilylprop-2-ynyl)propanedioate
SMILESCCCCCCC=C=CCC(CC#C[Si](C)(C)C)(C(=O)OC)C(=O)OC
InChIInChI=1S/C21H34O4Si/c1-7-8-9-10-11-12-13-14-16-21(19(22)24-2,20(23)25-3)17-15-18-26(4,5)6/h12,14H,7-11,16-17H2,1-6H3
InChIKeyUNMCXRMXMOPJMH-UHFFFAOYSA-N
XLogP4.66
TPSA52.60 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds10
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500378.59
LogP ≤ 54.66
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of dimethyl 2-deca-2,3-dienyl-2-(3-trimethylsilylprop-2-ynyl)propanedioate?
The IUPAC name of dimethyl 2-deca-2,3-dienyl-2-(3-trimethylsilylprop-2-ynyl)propanedioate (CID 101219653) is dimethyl 2-deca-2,3-dienyl-2-(3-trimethylsilylprop-2-ynyl)propanedioate.
What is the SMILES notation for dimethyl 2-deca-2,3-dienyl-2-(3-trimethylsilylprop-2-ynyl)propanedioate?
The canonical SMILES for dimethyl 2-deca-2,3-dienyl-2-(3-trimethylsilylprop-2-ynyl)propanedioate is CCCCCCC=C=CCC(CC#C[Si](C)(C)C)(C(=O)OC)C(=O)OC.
What is the InChIKey of dimethyl 2-deca-2,3-dienyl-2-(3-trimethylsilylprop-2-ynyl)propanedioate?
The InChIKey is UNMCXRMXMOPJMH-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H34O4Si/c1-7-8-9-10-11-12-13-14-16-21(19(22)24-2,20(23)25-3)17-15-18-26(4,5)6/h12,14H,7-11,16-17H2,1-6H3.
What are the key properties of dimethyl 2-deca-2,3-dienyl-2-(3-trimethylsilylprop-2-ynyl)propanedioate?
dimethyl 2-deca-2,3-dienyl-2-(3-trimethylsilylprop-2-ynyl)propanedioate has a molecular weight of 378.59 g/mol, XLogP of 4.66, 10 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for dimethyl 2-deca-2,3-dienyl-2-(3-trimethylsilylprop-2-ynyl)propanedioate is sourced from PubChem (CID 101219653), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).