1-O-methyl 5-O-(3-trimethylsilylprop-2-ynyl) 2,2,4,4-tetramethylpentanedioate

C16H28O4Si — CID 58193638

IUPAC1-O-methyl 5-O-(3-trimethylsilylprop-2-ynyl) 2,2,4,4-tetramethylpentanedioate
SMILESCOC(=O)C(C)(C)CC(C)(C)C(=O)OCC#C[Si](C)(C)C
InChIInChI=1S/C16H28O4Si/c1-15(2,13(17)19-5)12-16(3,4)14(18)20-10-9-11-21(6,7)8/h10,12H2,1-8H3
InChIKeyDXPXDJRWIHIENL-UHFFFAOYSA-N
MW312.48 g/mol
LogP3.03
Rot. Bonds5

About 1-O-methyl 5-O-(3-trimethylsilylprop-2-ynyl) 2,2,4,4-tetramethylpentanedioate

1-O-methyl 5-O-(3-trimethylsilylprop-2-ynyl) 2,2,4,4-tetramethylpentanedioate (PubChem CID 58193638) has the molecular formula C16H28O4Si and a molecular weight of 312.48 g/mol. Its IUPAC name is 1-O-methyl 5-O-(3-trimethylsilylprop-2-ynyl) 2,2,4,4-tetramethylpentanedioate.

Molecular Properties

Compound Name1-O-methyl 5-O-(3-trimethylsilylprop-2-ynyl) 2,2,4,4-tetramethylpentanedioate
PubChem CID58193638
Molecular FormulaC16H28O4Si
Molecular Weight312.48 g/mol
Exact Mass312.18
IUPAC Name1-O-methyl 5-O-(3-trimethylsilylprop-2-ynyl) 2,2,4,4-tetramethylpentanedioate
SMILESCOC(=O)C(C)(C)CC(C)(C)C(=O)OCC#C[Si](C)(C)C
InChIInChI=1S/C16H28O4Si/c1-15(2,13(17)19-5)12-16(3,4)14(18)20-10-9-11-21(6,7)8/h10,12H2,1-8H3
InChIKeyDXPXDJRWIHIENL-UHFFFAOYSA-N
XLogP3.03
TPSA52.60 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500312.48
LogP ≤ 53.03
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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 1-O-methyl 5-O-(3-trimethylsilylprop-2-ynyl) 2,2,4,4-tetramethylpentanedioate?
The IUPAC name of 1-O-methyl 5-O-(3-trimethylsilylprop-2-ynyl) 2,2,4,4-tetramethylpentanedioate (CID 58193638) is 1-O-methyl 5-O-(3-trimethylsilylprop-2-ynyl) 2,2,4,4-tetramethylpentanedioate.
What is the SMILES notation for 1-O-methyl 5-O-(3-trimethylsilylprop-2-ynyl) 2,2,4,4-tetramethylpentanedioate?
The canonical SMILES for 1-O-methyl 5-O-(3-trimethylsilylprop-2-ynyl) 2,2,4,4-tetramethylpentanedioate is COC(=O)C(C)(C)CC(C)(C)C(=O)OCC#C[Si](C)(C)C.
What is the InChIKey of 1-O-methyl 5-O-(3-trimethylsilylprop-2-ynyl) 2,2,4,4-tetramethylpentanedioate?
The InChIKey is DXPXDJRWIHIENL-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H28O4Si/c1-15(2,13(17)19-5)12-16(3,4)14(18)20-10-9-11-21(6,7)8/h10,12H2,1-8H3.
What are the key properties of 1-O-methyl 5-O-(3-trimethylsilylprop-2-ynyl) 2,2,4,4-tetramethylpentanedioate?
1-O-methyl 5-O-(3-trimethylsilylprop-2-ynyl) 2,2,4,4-tetramethylpentanedioate has a molecular weight of 312.48 g/mol, XLogP of 3.03, 5 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-O-methyl 5-O-(3-trimethylsilylprop-2-ynyl) 2,2,4,4-tetramethylpentanedioate is sourced from PubChem (CID 58193638), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).