3-[chloromethyl(dimethyl)silyl]propanoic acid

C6H13ClO2Si — CID 86002472

IUPAC3-[chloromethyl(dimethyl)silyl]propanoic acid
SMILESC[Si](C)(CCl)CCC(=O)O
InChIInChI=1S/C6H13ClO2Si/c1-10(2,5-7)4-3-6(8)9/h3-5H2,1-2H3,(H,8,9)
InChIKeyONHFEEZMCQBYDH-UHFFFAOYSA-N
MW180.71 g/mol
LogP1.95
Rot. Bonds4

About 3-[chloromethyl(dimethyl)silyl]propanoic acid

3-[chloromethyl(dimethyl)silyl]propanoic acid (PubChem CID 86002472) has the molecular formula C6H13ClO2Si and a molecular weight of 180.71 g/mol. Its IUPAC name is 3-[chloromethyl(dimethyl)silyl]propanoic acid.

Molecular Properties

Compound Name3-[chloromethyl(dimethyl)silyl]propanoic acid
PubChem CID86002472
Molecular FormulaC6H13ClO2Si
Molecular Weight180.71 g/mol
Exact Mass180.04
IUPAC Name3-[chloromethyl(dimethyl)silyl]propanoic acid
SMILESC[Si](C)(CCl)CCC(=O)O
InChIInChI=1S/C6H13ClO2Si/c1-10(2,5-7)4-3-6(8)9/h3-5H2,1-2H3,(H,8,9)
InChIKeyONHFEEZMCQBYDH-UHFFFAOYSA-N
XLogP1.95
TPSA37.30 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500180.71
LogP ≤ 51.95
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

27-[chloro(dimethyl)silyl]heptacosanoic acid
CID 87685703
23-[chloro(dimethyl)silyl]tricosanoic acid
CID 87683997
CID 175714794
CID 175714794
CID 131875237
CID 131875237
3-chloropropanoic acid;indigane
CID 173230746
chloromethane;pentanedioic acid
CID 159659659
azane;3-chloropropanoic acid
CID 87695597
azane;butanedioic acid;methanol
CID 131741728
butanedioic acid;2-methyloxirane
CID 87390185
benzene;3-chloropropanoic acid
CID 70473560
dichloromethane;3-hydroxypropanoic acid
CID 87483179
bis(butanedioic acid);carbonic acid
CID 159577506

Frequently Asked Questions

What is the IUPAC name of 3-[chloromethyl(dimethyl)silyl]propanoic acid?
The IUPAC name of 3-[chloromethyl(dimethyl)silyl]propanoic acid (CID 86002472) is 3-[chloromethyl(dimethyl)silyl]propanoic acid.
What is the SMILES notation for 3-[chloromethyl(dimethyl)silyl]propanoic acid?
The canonical SMILES for 3-[chloromethyl(dimethyl)silyl]propanoic acid is C[Si](C)(CCl)CCC(=O)O.
What is the InChIKey of 3-[chloromethyl(dimethyl)silyl]propanoic acid?
The InChIKey is ONHFEEZMCQBYDH-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H13ClO2Si/c1-10(2,5-7)4-3-6(8)9/h3-5H2,1-2H3,(H,8,9).
What are the key properties of 3-[chloromethyl(dimethyl)silyl]propanoic acid?
3-[chloromethyl(dimethyl)silyl]propanoic acid has a molecular weight of 180.71 g/mol, XLogP of 1.95, 4 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[chloromethyl(dimethyl)silyl]propanoic acid is sourced from PubChem (CID 86002472), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).