methyl (5R,8E,10E,12R)-5,12-dimethyl-15-trimethylsilylpentadeca-8,10-dien-6,14-diynoate

C21H32O2Si — CID 58461595

IUPACmethyl (5R,8E,10E,12R)-5,12-dimethyl-15-trimethylsilylpentadeca-8,10-dien-6,14-diynoate
SMILESCOC(=O)CCC[C@@H](C)C#C/C=C/C=C/[C@H](C)CC#C[Si](C)(C)C
InChIInChI=1S/C21H32O2Si/c1-19(15-11-17-21(22)23-3)13-9-7-8-10-14-20(2)16-12-18-24(4,5)6/h7-8,10,14,19-20H,11,15-17H2,1-6H3/b8-7+,14-10+/t19-,20-/m0/s1
InChIKeyASQOHLOUJCLQHW-QZJCOXGYSA-N
MW344.57 g/mol
LogP4.99
Rot. Bonds7

About methyl (5R,8E,10E,12R)-5,12-dimethyl-15-trimethylsilylpentadeca-8,10-dien-6,14-diynoate

methyl (5R,8E,10E,12R)-5,12-dimethyl-15-trimethylsilylpentadeca-8,10-dien-6,14-diynoate (PubChem CID 58461595) has the molecular formula C21H32O2Si and a molecular weight of 344.57 g/mol. Its IUPAC name is methyl (5R,8E,10E,12R)-5,12-dimethyl-15-trimethylsilylpentadeca-8,10-dien-6,14-diynoate.

Molecular Properties

Compound Namemethyl (5R,8E,10E,12R)-5,12-dimethyl-15-trimethylsilylpentadeca-8,10-dien-6,14-diynoate
PubChem CID58461595
Molecular FormulaC21H32O2Si
Molecular Weight344.57 g/mol
Exact Mass344.22
IUPAC Namemethyl (5R,8E,10E,12R)-5,12-dimethyl-15-trimethylsilylpentadeca-8,10-dien-6,14-diynoate
SMILESCOC(=O)CCC[C@@H](C)C#C/C=C/C=C/[C@H](C)CC#C[Si](C)(C)C
InChIInChI=1S/C21H32O2Si/c1-19(15-11-17-21(22)23-3)13-9-7-8-10-14-20(2)16-12-18-24(4,5)6/h7-8,10,14,19-20H,11,15-17H2,1-6H3/b8-7+,14-10+/t19-,20-/m0/s1
InChIKeyASQOHLOUJCLQHW-QZJCOXGYSA-N
XLogP4.99
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500344.57
LogP ≤ 54.99
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'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 (5R,8E,10E,12R)-5,12-dimethyl-15-trimethylsilylpentadeca-8,10-dien-6,14-diynoate?
The IUPAC name of methyl (5R,8E,10E,12R)-5,12-dimethyl-15-trimethylsilylpentadeca-8,10-dien-6,14-diynoate (CID 58461595) is methyl (5R,8E,10E,12R)-5,12-dimethyl-15-trimethylsilylpentadeca-8,10-dien-6,14-diynoate.
What is the SMILES notation for methyl (5R,8E,10E,12R)-5,12-dimethyl-15-trimethylsilylpentadeca-8,10-dien-6,14-diynoate?
The canonical SMILES for methyl (5R,8E,10E,12R)-5,12-dimethyl-15-trimethylsilylpentadeca-8,10-dien-6,14-diynoate is COC(=O)CCC[C@@H](C)C#C/C=C/C=C/[C@H](C)CC#C[Si](C)(C)C.
What is the InChIKey of methyl (5R,8E,10E,12R)-5,12-dimethyl-15-trimethylsilylpentadeca-8,10-dien-6,14-diynoate?
The InChIKey is ASQOHLOUJCLQHW-QZJCOXGYSA-N. The full InChI is InChI=1S/C21H32O2Si/c1-19(15-11-17-21(22)23-3)13-9-7-8-10-14-20(2)16-12-18-24(4,5)6/h7-8,10,14,19-20H,11,15-17H2,1-6H3/b8-7+,14-10+/t19-,20-/m0/s1.
What are the key properties of methyl (5R,8E,10E,12R)-5,12-dimethyl-15-trimethylsilylpentadeca-8,10-dien-6,14-diynoate?
methyl (5R,8E,10E,12R)-5,12-dimethyl-15-trimethylsilylpentadeca-8,10-dien-6,14-diynoate has a molecular weight of 344.57 g/mol, XLogP of 4.99, 7 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for methyl (5R,8E,10E,12R)-5,12-dimethyl-15-trimethylsilylpentadeca-8,10-dien-6,14-diynoate is sourced from PubChem (CID 58461595), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).