1-[ethyl(dimethyl)silyl]cyclobutane-1-carboxylic acid

C9H18O2Si — CID 140817145

IUPAC1-[ethyl(dimethyl)silyl]cyclobutane-1-carboxylic acid
SMILESCC[Si](C)(C)C1(C(=O)O)CCC1
InChIInChI=1S/C9H18O2Si/c1-4-12(2,3)9(8(10)11)6-5-7-9/h4-7H2,1-3H3,(H,10,11)
InChIKeyIYNSVXXATYEMPN-UHFFFAOYSA-N
MW186.33 g/mol
LogP2.72
Rot. Bonds3

About 1-[ethyl(dimethyl)silyl]cyclobutane-1-carboxylic acid

1-[ethyl(dimethyl)silyl]cyclobutane-1-carboxylic acid (PubChem CID 140817145) has the molecular formula C9H18O2Si and a molecular weight of 186.33 g/mol. Its IUPAC name is 1-[ethyl(dimethyl)silyl]cyclobutane-1-carboxylic acid.

Molecular Properties

Compound Name1-[ethyl(dimethyl)silyl]cyclobutane-1-carboxylic acid
PubChem CID140817145
Molecular FormulaC9H18O2Si
Molecular Weight186.33 g/mol
Exact Mass186.11
IUPAC Name1-[ethyl(dimethyl)silyl]cyclobutane-1-carboxylic acid
SMILESCC[Si](C)(C)C1(C(=O)O)CCC1
InChIInChI=1S/C9H18O2Si/c1-4-12(2,3)9(8(10)11)6-5-7-9/h4-7H2,1-3H3,(H,10,11)
InChIKeyIYNSVXXATYEMPN-UHFFFAOYSA-N
XLogP2.72
TPSA37.30 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500186.33
LogP ≤ 52.72
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

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CID 102005142
carbonic acid;cyclohexane;propane
CID 175056735
CID 69418768
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CID 80611944
CID 101274523
CID 101274523
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Frequently Asked Questions

What is the IUPAC name of 1-[ethyl(dimethyl)silyl]cyclobutane-1-carboxylic acid?
The IUPAC name of 1-[ethyl(dimethyl)silyl]cyclobutane-1-carboxylic acid (CID 140817145) is 1-[ethyl(dimethyl)silyl]cyclobutane-1-carboxylic acid.
What is the SMILES notation for 1-[ethyl(dimethyl)silyl]cyclobutane-1-carboxylic acid?
The canonical SMILES for 1-[ethyl(dimethyl)silyl]cyclobutane-1-carboxylic acid is CC[Si](C)(C)C1(C(=O)O)CCC1.
What is the InChIKey of 1-[ethyl(dimethyl)silyl]cyclobutane-1-carboxylic acid?
The InChIKey is IYNSVXXATYEMPN-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H18O2Si/c1-4-12(2,3)9(8(10)11)6-5-7-9/h4-7H2,1-3H3,(H,10,11).
What are the key properties of 1-[ethyl(dimethyl)silyl]cyclobutane-1-carboxylic acid?
1-[ethyl(dimethyl)silyl]cyclobutane-1-carboxylic acid has a molecular weight of 186.33 g/mol, XLogP of 2.72, 3 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[ethyl(dimethyl)silyl]cyclobutane-1-carboxylic acid is sourced from PubChem (CID 140817145), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).