methyl 7-trimethylsilylhept-6-ynoate

C11H20O2Si — CID 10081917

IUPACmethyl 7-trimethylsilylhept-6-ynoate
SMILESCOC(=O)CCCCC#C[Si](C)(C)C
InChIInChI=1S/C11H20O2Si/c1-13-11(12)9-7-5-6-8-10-14(2,3)4/h5-7,9H2,1-4H3
InChIKeyORNMLICERKUMAU-UHFFFAOYSA-N
MW212.36 g/mol
LogP2.60
Rot. Bonds4

About methyl 7-trimethylsilylhept-6-ynoate

methyl 7-trimethylsilylhept-6-ynoate (PubChem CID 10081917) has the molecular formula C11H20O2Si and a molecular weight of 212.36 g/mol. Its IUPAC name is methyl 7-trimethylsilylhept-6-ynoate.

Molecular Properties

Compound Namemethyl 7-trimethylsilylhept-6-ynoate
PubChem CID10081917
Molecular FormulaC11H20O2Si
Molecular Weight212.36 g/mol
Exact Mass212.12
IUPAC Namemethyl 7-trimethylsilylhept-6-ynoate
SMILESCOC(=O)CCCCC#C[Si](C)(C)C
InChIInChI=1S/C11H20O2Si/c1-13-11(12)9-7-5-6-8-10-14(2,3)4/h5-7,9H2,1-4H3
InChIKeyORNMLICERKUMAU-UHFFFAOYSA-N
XLogP2.60
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500212.36
LogP ≤ 52.60
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 7-trimethylsilylhept-6-ynoate?
The IUPAC name of methyl 7-trimethylsilylhept-6-ynoate (CID 10081917) is methyl 7-trimethylsilylhept-6-ynoate.
What is the SMILES notation for methyl 7-trimethylsilylhept-6-ynoate?
The canonical SMILES for methyl 7-trimethylsilylhept-6-ynoate is COC(=O)CCCCC#C[Si](C)(C)C.
What is the InChIKey of methyl 7-trimethylsilylhept-6-ynoate?
The InChIKey is ORNMLICERKUMAU-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H20O2Si/c1-13-11(12)9-7-5-6-8-10-14(2,3)4/h5-7,9H2,1-4H3.
What are the key properties of methyl 7-trimethylsilylhept-6-ynoate?
methyl 7-trimethylsilylhept-6-ynoate has a molecular weight of 212.36 g/mol, XLogP of 2.60, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 7-trimethylsilylhept-6-ynoate is sourced from PubChem (CID 10081917), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).