methyl (7S,10E)-7-trimethylsilyloxyheptadeca-10,16-dien-8-ynoate

C21H36O3Si — CID 162875095

IUPACmethyl (7S,10E)-7-trimethylsilyloxyheptadeca-10,16-dien-8-ynoate
SMILESC=CCCCC/C=C/C#C[C@H](CCCCCC(=O)OC)O[Si](C)(C)C
InChIInChI=1S/C21H36O3Si/c1-6-7-8-9-10-11-12-14-17-20(24-25(3,4)5)18-15-13-16-19-21(22)23-2/h6,11-12,20H,1,7-10,13,15-16,18-19H2,2-5H3/b12-11+/t20-/m1/s1
InChIKeyUTCOKYQAKRDCSK-YVNCXZRQSA-N
MW364.60 g/mol
LogP5.64
Rot. Bonds13

About methyl (7S,10E)-7-trimethylsilyloxyheptadeca-10,16-dien-8-ynoate

methyl (7S,10E)-7-trimethylsilyloxyheptadeca-10,16-dien-8-ynoate (PubChem CID 162875095) has the molecular formula C21H36O3Si and a molecular weight of 364.60 g/mol. Its IUPAC name is methyl (7S,10E)-7-trimethylsilyloxyheptadeca-10,16-dien-8-ynoate.

Molecular Properties

Compound Namemethyl (7S,10E)-7-trimethylsilyloxyheptadeca-10,16-dien-8-ynoate
PubChem CID162875095
Molecular FormulaC21H36O3Si
Molecular Weight364.60 g/mol
Exact Mass364.24
IUPAC Namemethyl (7S,10E)-7-trimethylsilyloxyheptadeca-10,16-dien-8-ynoate
SMILESC=CCCCC/C=C/C#C[C@H](CCCCCC(=O)OC)O[Si](C)(C)C
InChIInChI=1S/C21H36O3Si/c1-6-7-8-9-10-11-12-14-17-20(24-25(3,4)5)18-15-13-16-19-21(22)23-2/h6,11-12,20H,1,7-10,13,15-16,18-19H2,2-5H3/b12-11+/t20-/m1/s1
InChIKeyUTCOKYQAKRDCSK-YVNCXZRQSA-N
XLogP5.64
TPSA35.53 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds13
Heavy Atoms25
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500364.60
LogP ≤ 55.64
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

Analyze methyl (7S,10E)-7-trimethylsilyloxyheptadeca-10,16-dien-8-ynoate with MolForge

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Related Compounds

dimethyl octadec-9-enedioate;methyl dec-9-enoate
CID 159471002
methyl (Z)-13-fluorooctadec-9-en-11-ynoate
CID 23236963
methyl (Z)-11-trimethylsilyloxyoctadec-9-enoate
CID 5366650
methyl (E)-13-trimethylsilyloxyoctadec-11-enoate
CID 10000118
methyl (9E,11E)-14-trimethylsilyloxyoctadeca-9,11-dienoate
CID 91749561
methyl (5E)-undeca-5,10-dienoate
CID 102118350
methyl (Z)-hexadec-12-enoate
CID 10978485
methyl (Z)-octadec-9-en-11-ynoate
CID 59455308
methyl 8-trimethylsilyloxyhexadecanoate
CID 14454572
methyl 12-trimethylsilyloxyoctadecanoate
CID 604384
dimethyl (E)-triacont-15-enedioate
CID 10767955
methyl (E)-15-methylhexadec-11-enoate
CID 5364661

Frequently Asked Questions

What is the IUPAC name of methyl (7S,10E)-7-trimethylsilyloxyheptadeca-10,16-dien-8-ynoate?
The IUPAC name of methyl (7S,10E)-7-trimethylsilyloxyheptadeca-10,16-dien-8-ynoate (CID 162875095) is methyl (7S,10E)-7-trimethylsilyloxyheptadeca-10,16-dien-8-ynoate.
What is the SMILES notation for methyl (7S,10E)-7-trimethylsilyloxyheptadeca-10,16-dien-8-ynoate?
The canonical SMILES for methyl (7S,10E)-7-trimethylsilyloxyheptadeca-10,16-dien-8-ynoate is C=CCCCC/C=C/C#C[C@H](CCCCCC(=O)OC)O[Si](C)(C)C.
What is the InChIKey of methyl (7S,10E)-7-trimethylsilyloxyheptadeca-10,16-dien-8-ynoate?
The InChIKey is UTCOKYQAKRDCSK-YVNCXZRQSA-N. The full InChI is InChI=1S/C21H36O3Si/c1-6-7-8-9-10-11-12-14-17-20(24-25(3,4)5)18-15-13-16-19-21(22)23-2/h6,11-12,20H,1,7-10,13,15-16,18-19H2,2-5H3/b12-11+/t20-/m1/s1.
What are the key properties of methyl (7S,10E)-7-trimethylsilyloxyheptadeca-10,16-dien-8-ynoate?
methyl (7S,10E)-7-trimethylsilyloxyheptadeca-10,16-dien-8-ynoate has a molecular weight of 364.60 g/mol, XLogP of 5.64, 13 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for methyl (7S,10E)-7-trimethylsilyloxyheptadeca-10,16-dien-8-ynoate is sourced from PubChem (CID 162875095), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).