methyl 5-trimethylsilylpent-4-ynoate

C9H16O2Si — CID 10867019

IUPACmethyl 5-trimethylsilylpent-4-ynoate
SMILESCOC(=O)CCC#C[Si](C)(C)C
InChIInChI=1S/C9H16O2Si/c1-11-9(10)7-5-6-8-12(2,3)4/h5,7H2,1-4H3
InChIKeyDJLBZWDVQRNPBX-UHFFFAOYSA-N
MW184.31 g/mol
LogP1.82
Rot. Bonds2

About methyl 5-trimethylsilylpent-4-ynoate

methyl 5-trimethylsilylpent-4-ynoate (PubChem CID 10867019) has the molecular formula C9H16O2Si and a molecular weight of 184.31 g/mol. Its IUPAC name is methyl 5-trimethylsilylpent-4-ynoate.

Molecular Properties

Compound Namemethyl 5-trimethylsilylpent-4-ynoate
PubChem CID10867019
Molecular FormulaC9H16O2Si
Molecular Weight184.31 g/mol
Exact Mass184.09
IUPAC Namemethyl 5-trimethylsilylpent-4-ynoate
SMILESCOC(=O)CCC#C[Si](C)(C)C
InChIInChI=1S/C9H16O2Si/c1-11-9(10)7-5-6-8-12(2,3)4/h5,7H2,1-4H3
InChIKeyDJLBZWDVQRNPBX-UHFFFAOYSA-N
XLogP1.82
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500184.31
LogP ≤ 51.82
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'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 5-trimethylsilylpent-4-ynoate?
The IUPAC name of methyl 5-trimethylsilylpent-4-ynoate (CID 10867019) is methyl 5-trimethylsilylpent-4-ynoate.
What is the SMILES notation for methyl 5-trimethylsilylpent-4-ynoate?
The canonical SMILES for methyl 5-trimethylsilylpent-4-ynoate is COC(=O)CCC#C[Si](C)(C)C.
What is the InChIKey of methyl 5-trimethylsilylpent-4-ynoate?
The InChIKey is DJLBZWDVQRNPBX-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H16O2Si/c1-11-9(10)7-5-6-8-12(2,3)4/h5,7H2,1-4H3.
What are the key properties of methyl 5-trimethylsilylpent-4-ynoate?
methyl 5-trimethylsilylpent-4-ynoate has a molecular weight of 184.31 g/mol, XLogP of 1.82, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 5-trimethylsilylpent-4-ynoate is sourced from PubChem (CID 10867019), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).