methyl 8-trimethylsilylocta-5,7-diynoate

C12H18O2Si — CID 87930695

IUPACmethyl 8-trimethylsilylocta-5,7-diynoate
SMILESCOC(=O)CCCC#CC#C[Si](C)(C)C
InChIInChI=1S/C12H18O2Si/c1-14-12(13)10-8-6-5-7-9-11-15(2,3)4/h6,8,10H2,1-4H3
InChIKeySDESBHJAZCJGEZ-UHFFFAOYSA-N
MW222.36 g/mol
LogP2.21
Rot. Bonds3

About methyl 8-trimethylsilylocta-5,7-diynoate

methyl 8-trimethylsilylocta-5,7-diynoate (PubChem CID 87930695) has the molecular formula C12H18O2Si and a molecular weight of 222.36 g/mol. Its IUPAC name is methyl 8-trimethylsilylocta-5,7-diynoate.

Molecular Properties

Compound Namemethyl 8-trimethylsilylocta-5,7-diynoate
PubChem CID87930695
Molecular FormulaC12H18O2Si
Molecular Weight222.36 g/mol
Exact Mass222.11
IUPAC Namemethyl 8-trimethylsilylocta-5,7-diynoate
SMILESCOC(=O)CCCC#CC#C[Si](C)(C)C
InChIInChI=1S/C12H18O2Si/c1-14-12(13)10-8-6-5-7-9-11-15(2,3)4/h6,8,10H2,1-4H3
InChIKeySDESBHJAZCJGEZ-UHFFFAOYSA-N
XLogP2.21
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500222.36
LogP ≤ 52.21
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': 'triple_bond', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of methyl 8-trimethylsilylocta-5,7-diynoate?
The IUPAC name of methyl 8-trimethylsilylocta-5,7-diynoate (CID 87930695) is methyl 8-trimethylsilylocta-5,7-diynoate.
What is the SMILES notation for methyl 8-trimethylsilylocta-5,7-diynoate?
The canonical SMILES for methyl 8-trimethylsilylocta-5,7-diynoate is COC(=O)CCCC#CC#C[Si](C)(C)C.
What is the InChIKey of methyl 8-trimethylsilylocta-5,7-diynoate?
The InChIKey is SDESBHJAZCJGEZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H18O2Si/c1-14-12(13)10-8-6-5-7-9-11-15(2,3)4/h6,8,10H2,1-4H3.
What are the key properties of methyl 8-trimethylsilylocta-5,7-diynoate?
methyl 8-trimethylsilylocta-5,7-diynoate has a molecular weight of 222.36 g/mol, XLogP of 2.21, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 8-trimethylsilylocta-5,7-diynoate is sourced from PubChem (CID 87930695), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).