2-methyl-2-trimethylsilyloxypent-3-ynoic acid

C9H16O3Si — CID 88550167

IUPAC2-methyl-2-trimethylsilyloxypent-3-ynoic acid
SMILESCC#CC(C)(O[Si](C)(C)C)C(=O)O
InChIInChI=1S/C9H16O3Si/c1-6-7-9(2,8(10)11)12-13(3,4)5/h1-5H3,(H,10,11)
InChIKeyIHGNPLDNTHVFLP-UHFFFAOYSA-N
MW200.31 g/mol
LogP1.70
Rot. Bonds3

About 2-methyl-2-trimethylsilyloxypent-3-ynoic acid

2-methyl-2-trimethylsilyloxypent-3-ynoic acid (PubChem CID 88550167) has the molecular formula C9H16O3Si and a molecular weight of 200.31 g/mol. Its IUPAC name is 2-methyl-2-trimethylsilyloxypent-3-ynoic acid.

Molecular Properties

Compound Name2-methyl-2-trimethylsilyloxypent-3-ynoic acid
PubChem CID88550167
Molecular FormulaC9H16O3Si
Molecular Weight200.31 g/mol
Exact Mass200.09
IUPAC Name2-methyl-2-trimethylsilyloxypent-3-ynoic acid
SMILESCC#CC(C)(O[Si](C)(C)C)C(=O)O
InChIInChI=1S/C9H16O3Si/c1-6-7-9(2,8(10)11)12-13(3,4)5/h1-5H3,(H,10,11)
InChIKeyIHGNPLDNTHVFLP-UHFFFAOYSA-N
XLogP1.70
TPSA46.53 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500200.31
LogP ≤ 51.70
H-Bond Donors ≤ 51
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 2-methyl-2-trimethylsilyloxypent-3-ynoic acid?
The IUPAC name of 2-methyl-2-trimethylsilyloxypent-3-ynoic acid (CID 88550167) is 2-methyl-2-trimethylsilyloxypent-3-ynoic acid.
What is the SMILES notation for 2-methyl-2-trimethylsilyloxypent-3-ynoic acid?
The canonical SMILES for 2-methyl-2-trimethylsilyloxypent-3-ynoic acid is CC#CC(C)(O[Si](C)(C)C)C(=O)O.
What is the InChIKey of 2-methyl-2-trimethylsilyloxypent-3-ynoic acid?
The InChIKey is IHGNPLDNTHVFLP-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H16O3Si/c1-6-7-9(2,8(10)11)12-13(3,4)5/h1-5H3,(H,10,11).
What are the key properties of 2-methyl-2-trimethylsilyloxypent-3-ynoic acid?
2-methyl-2-trimethylsilyloxypent-3-ynoic acid has a molecular weight of 200.31 g/mol, XLogP of 1.70, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-2-trimethylsilyloxypent-3-ynoic acid is sourced from PubChem (CID 88550167), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).