methyl (8E,10E,12R)-12-methyl-15-trimethylsilylpentadeca-8,10-dien-6,14-diynoate

C20H30O2Si — CID 58373599

IUPACmethyl (8E,10E,12R)-12-methyl-15-trimethylsilylpentadeca-8,10-dien-6,14-diynoate
SMILESCOC(=O)CCCCC#C/C=C/C=C/[C@H](C)CC#C[Si](C)(C)C
InChIInChI=1S/C20H30O2Si/c1-19(16-14-18-23(3,4)5)15-12-10-8-6-7-9-11-13-17-20(21)22-2/h8,10,12,15,19H,9,11,13,16-17H2,1-5H3/b10-8+,15-12+/t19-/m0/s1
InChIKeyBMRAVVHNZLDKAW-RYQQSTTKSA-N
MW330.54 g/mol
LogP4.74
Rot. Bonds7

About methyl (8E,10E,12R)-12-methyl-15-trimethylsilylpentadeca-8,10-dien-6,14-diynoate

methyl (8E,10E,12R)-12-methyl-15-trimethylsilylpentadeca-8,10-dien-6,14-diynoate (PubChem CID 58373599) has the molecular formula C20H30O2Si and a molecular weight of 330.54 g/mol. Its IUPAC name is methyl (8E,10E,12R)-12-methyl-15-trimethylsilylpentadeca-8,10-dien-6,14-diynoate.

Molecular Properties

Compound Namemethyl (8E,10E,12R)-12-methyl-15-trimethylsilylpentadeca-8,10-dien-6,14-diynoate
PubChem CID58373599
Molecular FormulaC20H30O2Si
Molecular Weight330.54 g/mol
Exact Mass330.20
IUPAC Namemethyl (8E,10E,12R)-12-methyl-15-trimethylsilylpentadeca-8,10-dien-6,14-diynoate
SMILESCOC(=O)CCCCC#C/C=C/C=C/[C@H](C)CC#C[Si](C)(C)C
InChIInChI=1S/C20H30O2Si/c1-19(16-14-18-23(3,4)5)15-12-10-8-6-7-9-11-13-17-20(21)22-2/h8,10,12,15,19H,9,11,13,16-17H2,1-5H3/b10-8+,15-12+/t19-/m0/s1
InChIKeyBMRAVVHNZLDKAW-RYQQSTTKSA-N
XLogP4.74
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500330.54
LogP ≤ 54.74
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 (8E,10E,12R)-12-methyl-15-trimethylsilylpentadeca-8,10-dien-6,14-diynoate?
The IUPAC name of methyl (8E,10E,12R)-12-methyl-15-trimethylsilylpentadeca-8,10-dien-6,14-diynoate (CID 58373599) is methyl (8E,10E,12R)-12-methyl-15-trimethylsilylpentadeca-8,10-dien-6,14-diynoate.
What is the SMILES notation for methyl (8E,10E,12R)-12-methyl-15-trimethylsilylpentadeca-8,10-dien-6,14-diynoate?
The canonical SMILES for methyl (8E,10E,12R)-12-methyl-15-trimethylsilylpentadeca-8,10-dien-6,14-diynoate is COC(=O)CCCCC#C/C=C/C=C/[C@H](C)CC#C[Si](C)(C)C.
What is the InChIKey of methyl (8E,10E,12R)-12-methyl-15-trimethylsilylpentadeca-8,10-dien-6,14-diynoate?
The InChIKey is BMRAVVHNZLDKAW-RYQQSTTKSA-N. The full InChI is InChI=1S/C20H30O2Si/c1-19(16-14-18-23(3,4)5)15-12-10-8-6-7-9-11-13-17-20(21)22-2/h8,10,12,15,19H,9,11,13,16-17H2,1-5H3/b10-8+,15-12+/t19-/m0/s1.
What are the key properties of methyl (8E,10E,12R)-12-methyl-15-trimethylsilylpentadeca-8,10-dien-6,14-diynoate?
methyl (8E,10E,12R)-12-methyl-15-trimethylsilylpentadeca-8,10-dien-6,14-diynoate has a molecular weight of 330.54 g/mol, XLogP of 4.74, 7 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for methyl (8E,10E,12R)-12-methyl-15-trimethylsilylpentadeca-8,10-dien-6,14-diynoate is sourced from PubChem (CID 58373599), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).