acetic acid;chloro-ethyl-dimethylsilane

C6H15ClO2Si — CID 174390963

IUPACacetic acid;chloro-ethyl-dimethylsilane
SMILESCC(=O)O.CC[Si](C)(C)Cl
InChIInChI=1S/C4H11ClSi.C2H4O2/c1-4-6(2,3)5;1-2(3)4/h4H2,1-3H3;1H3,(H,3,4)
InChIKeyRKAIWRSZOZBOSE-UHFFFAOYSA-N
MW182.72 g/mol
LogP2.54
Rot. Bonds1

About acetic acid;chloro-ethyl-dimethylsilane

acetic acid;chloro-ethyl-dimethylsilane (PubChem CID 174390963) has the molecular formula C6H15ClO2Si and a molecular weight of 182.72 g/mol. Its IUPAC name is acetic acid;chloro-ethyl-dimethylsilane.

Molecular Properties

Compound Nameacetic acid;chloro-ethyl-dimethylsilane
PubChem CID174390963
Molecular FormulaC6H15ClO2Si
Molecular Weight182.72 g/mol
Exact Mass182.05
IUPAC Nameacetic acid;chloro-ethyl-dimethylsilane
SMILESCC(=O)O.CC[Si](C)(C)Cl
InChIInChI=1S/C4H11ClSi.C2H4O2/c1-4-6(2,3)5;1-2(3)4/h4H2,1-3H3;1H3,(H,3,4)
InChIKeyRKAIWRSZOZBOSE-UHFFFAOYSA-N
XLogP2.54
TPSA37.30 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500182.72
LogP ≤ 52.54
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

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acetic acid
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CID 174960727
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CID 170839673
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CID 173372937
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Frequently Asked Questions

What is the IUPAC name of acetic acid;chloro-ethyl-dimethylsilane?
The IUPAC name of acetic acid;chloro-ethyl-dimethylsilane (CID 174390963) is acetic acid;chloro-ethyl-dimethylsilane.
What is the SMILES notation for acetic acid;chloro-ethyl-dimethylsilane?
The canonical SMILES for acetic acid;chloro-ethyl-dimethylsilane is CC(=O)O.CC[Si](C)(C)Cl.
What is the InChIKey of acetic acid;chloro-ethyl-dimethylsilane?
The InChIKey is RKAIWRSZOZBOSE-UHFFFAOYSA-N. The full InChI is InChI=1S/C4H11ClSi.C2H4O2/c1-4-6(2,3)5;1-2(3)4/h4H2,1-3H3;1H3,(H,3,4).
What are the key properties of acetic acid;chloro-ethyl-dimethylsilane?
acetic acid;chloro-ethyl-dimethylsilane has a molecular weight of 182.72 g/mol, XLogP of 2.54, 1 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for acetic acid;chloro-ethyl-dimethylsilane is sourced from PubChem (CID 174390963), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).