2-methyl-5-trimethylsilylpent-4-ynoic acid

C9H16O2Si — CID 102228777

IUPAC2-methyl-5-trimethylsilylpent-4-ynoic acid
SMILESCC(CC#C[Si](C)(C)C)C(=O)O
InChIInChI=1S/C9H16O2Si/c1-8(9(10)11)6-5-7-12(2,3)4/h8H,6H2,1-4H3,(H,10,11)
InChIKeyDPFCWKXUIKQIIN-UHFFFAOYSA-N
MW184.31 g/mol
LogP1.98
Rot. Bonds2

About 2-methyl-5-trimethylsilylpent-4-ynoic acid

2-methyl-5-trimethylsilylpent-4-ynoic acid (PubChem CID 102228777) has the molecular formula C9H16O2Si and a molecular weight of 184.31 g/mol. Its IUPAC name is 2-methyl-5-trimethylsilylpent-4-ynoic acid.

Molecular Properties

Compound Name2-methyl-5-trimethylsilylpent-4-ynoic acid
PubChem CID102228777
Molecular FormulaC9H16O2Si
Molecular Weight184.31 g/mol
Exact Mass184.09
IUPAC Name2-methyl-5-trimethylsilylpent-4-ynoic acid
SMILESCC(CC#C[Si](C)(C)C)C(=O)O
InChIInChI=1S/C9H16O2Si/c1-8(9(10)11)6-5-7-12(2,3)4/h8H,6H2,1-4H3,(H,10,11)
InChIKeyDPFCWKXUIKQIIN-UHFFFAOYSA-N
XLogP1.98
TPSA37.30 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500184.31
LogP ≤ 51.98
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'heavy_metal', 'substructure': 'N/A'}, {'alert_name': 'triple_bond', 'substructure': 'N/A'}

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Related Compounds

2,6,6-trimethylhept-4-ynoic acid
CID 21307528
(3S)-2-methyl-6-trimethylsilylhex-5-yn-3-ol
CID 130831196
[(2R)-5-trimethylsilylpent-4-yn-2-yl] carbamate
CID 175398792
methyl N-[(2R)-5-trimethylsilylpent-4-yn-2-yl]carbamate
CID 11063776
(2S)-5-cyclopropyl-2-methylpent-4-ynoic acid
CID 138469715
2-methylpent-4-ynoic acid;hydrochloride
CID 88647692
N-(2-oxo-6-trimethylsilylhex-5-yn-3-yl)benzamide
CID 23088120
5-trimethylsilylpent-4-yn-2-one
CID 12685334
(4S)-1-dimethoxyphosphoryl-4-methyl-7-trimethylsilylhept-6-yn-2-one
CID 23636318
(4S)-4-methyl-1-trimethylsilylhex-1-yn-3-one
CID 13202853
(3R)-3-hydroxy-6-trimethylsilylhex-5-ynenitrile
CID 76764362
[(4R)-4,8-dimethylnon-7-en-1-ynyl]-trimethylsilane
CID 11390445

Frequently Asked Questions

What is the IUPAC name of 2-methyl-5-trimethylsilylpent-4-ynoic acid?
The IUPAC name of 2-methyl-5-trimethylsilylpent-4-ynoic acid (CID 102228777) is 2-methyl-5-trimethylsilylpent-4-ynoic acid.
What is the SMILES notation for 2-methyl-5-trimethylsilylpent-4-ynoic acid?
The canonical SMILES for 2-methyl-5-trimethylsilylpent-4-ynoic acid is CC(CC#C[Si](C)(C)C)C(=O)O.
What is the InChIKey of 2-methyl-5-trimethylsilylpent-4-ynoic acid?
The InChIKey is DPFCWKXUIKQIIN-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H16O2Si/c1-8(9(10)11)6-5-7-12(2,3)4/h8H,6H2,1-4H3,(H,10,11).
What are the key properties of 2-methyl-5-trimethylsilylpent-4-ynoic acid?
2-methyl-5-trimethylsilylpent-4-ynoic acid has a molecular weight of 184.31 g/mol, XLogP of 1.98, 2 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-5-trimethylsilylpent-4-ynoic acid is sourced from PubChem (CID 102228777), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).