methyl 15-trimethylsilylpentadeca-8,10-dien-6,14-diynoate

C19H28O2Si — CID 76793516

IUPACmethyl 15-trimethylsilylpentadeca-8,10-dien-6,14-diynoate
SMILESCOC(=O)CCCCC#CC=CC=CCCC#C[Si](C)(C)C
InChIInChI=1S/C19H28O2Si/c1-21-19(20)17-15-13-11-9-7-5-6-8-10-12-14-16-18-22(2,3)4/h5-6,8,10H,11-15,17H2,1-4H3
InChIKeyOONORSFOYFYDJM-UHFFFAOYSA-N
MW316.52 g/mol
LogP4.50
Rot. Bonds7

About methyl 15-trimethylsilylpentadeca-8,10-dien-6,14-diynoate

methyl 15-trimethylsilylpentadeca-8,10-dien-6,14-diynoate (PubChem CID 76793516) has the molecular formula C19H28O2Si and a molecular weight of 316.52 g/mol. Its IUPAC name is methyl 15-trimethylsilylpentadeca-8,10-dien-6,14-diynoate.

Molecular Properties

Compound Namemethyl 15-trimethylsilylpentadeca-8,10-dien-6,14-diynoate
PubChem CID76793516
Molecular FormulaC19H28O2Si
Molecular Weight316.52 g/mol
Exact Mass316.19
IUPAC Namemethyl 15-trimethylsilylpentadeca-8,10-dien-6,14-diynoate
SMILESCOC(=O)CCCCC#CC=CC=CCCC#C[Si](C)(C)C
InChIInChI=1S/C19H28O2Si/c1-21-19(20)17-15-13-11-9-7-5-6-8-10-12-14-16-18-22(2,3)4/h5-6,8,10H,11-15,17H2,1-4H3
InChIKeyOONORSFOYFYDJM-UHFFFAOYSA-N
XLogP4.50
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500316.52
LogP ≤ 54.50
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'heavy_metal', 'substructure': 'N/A'}, {'alert_name': 'polyene', 'substructure': 'N/A'}, {'alert_name': 'triple_bond', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of methyl 15-trimethylsilylpentadeca-8,10-dien-6,14-diynoate?
The IUPAC name of methyl 15-trimethylsilylpentadeca-8,10-dien-6,14-diynoate (CID 76793516) is methyl 15-trimethylsilylpentadeca-8,10-dien-6,14-diynoate.
What is the SMILES notation for methyl 15-trimethylsilylpentadeca-8,10-dien-6,14-diynoate?
The canonical SMILES for methyl 15-trimethylsilylpentadeca-8,10-dien-6,14-diynoate is COC(=O)CCCCC#CC=CC=CCCC#C[Si](C)(C)C.
What is the InChIKey of methyl 15-trimethylsilylpentadeca-8,10-dien-6,14-diynoate?
The InChIKey is OONORSFOYFYDJM-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H28O2Si/c1-21-19(20)17-15-13-11-9-7-5-6-8-10-12-14-16-18-22(2,3)4/h5-6,8,10H,11-15,17H2,1-4H3.
What are the key properties of methyl 15-trimethylsilylpentadeca-8,10-dien-6,14-diynoate?
methyl 15-trimethylsilylpentadeca-8,10-dien-6,14-diynoate has a molecular weight of 316.52 g/mol, XLogP of 4.50, 7 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 15-trimethylsilylpentadeca-8,10-dien-6,14-diynoate is sourced from PubChem (CID 76793516), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).