2-(1-dimethylsilylprop-2-enoxy)acetic acid

C7H14O3Si — CID 154102960

IUPAC2-(1-dimethylsilylprop-2-enoxy)acetic acid
SMILESC=CC(OCC(=O)O)[SiH](C)C
InChIInChI=1S/C7H14O3Si/c1-4-7(11(2)3)10-5-6(8)9/h4,7,11H,1,5H2,2-3H3,(H,8,9)
InChIKeyBPYUVPUKCKHMQZ-UHFFFAOYSA-N
MW174.27 g/mol
LogP0.67
Rot. Bonds5

About 2-(1-dimethylsilylprop-2-enoxy)acetic acid

2-(1-dimethylsilylprop-2-enoxy)acetic acid (PubChem CID 154102960) has the molecular formula C7H14O3Si and a molecular weight of 174.27 g/mol. Its IUPAC name is 2-(1-dimethylsilylprop-2-enoxy)acetic acid.

Molecular Properties

Compound Name2-(1-dimethylsilylprop-2-enoxy)acetic acid
PubChem CID154102960
Molecular FormulaC7H14O3Si
Molecular Weight174.27 g/mol
Exact Mass174.07
IUPAC Name2-(1-dimethylsilylprop-2-enoxy)acetic acid
SMILESC=CC(OCC(=O)O)[SiH](C)C
InChIInChI=1S/C7H14O3Si/c1-4-7(11(2)3)10-5-6(8)9/h4,7,11H,1,5H2,2-3H3,(H,8,9)
InChIKeyBPYUVPUKCKHMQZ-UHFFFAOYSA-N
XLogP0.67
TPSA46.53 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500174.27
LogP ≤ 50.67
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 2-(1-dimethylsilylprop-2-enoxy)acetic acid?
The IUPAC name of 2-(1-dimethylsilylprop-2-enoxy)acetic acid (CID 154102960) is 2-(1-dimethylsilylprop-2-enoxy)acetic acid.
What is the SMILES notation for 2-(1-dimethylsilylprop-2-enoxy)acetic acid?
The canonical SMILES for 2-(1-dimethylsilylprop-2-enoxy)acetic acid is C=CC(OCC(=O)O)[SiH](C)C.
What is the InChIKey of 2-(1-dimethylsilylprop-2-enoxy)acetic acid?
The InChIKey is BPYUVPUKCKHMQZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H14O3Si/c1-4-7(11(2)3)10-5-6(8)9/h4,7,11H,1,5H2,2-3H3,(H,8,9).
What are the key properties of 2-(1-dimethylsilylprop-2-enoxy)acetic acid?
2-(1-dimethylsilylprop-2-enoxy)acetic acid has a molecular weight of 174.27 g/mol, XLogP of 0.67, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(1-dimethylsilylprop-2-enoxy)acetic acid is sourced from PubChem (CID 154102960), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).