(2-cyclohexylidene-3-trimethylsilylpropyl) 2,2-dimethylpropanoate

C17H32O2Si — CID 12062908

IUPAC(2-cyclohexylidene-3-trimethylsilylpropyl) 2,2-dimethylpropanoate
SMILESCC(C)(C)C(=O)OCC(C[Si](C)(C)C)=C1CCCCC1
InChIInChI=1S/C17H32O2Si/c1-17(2,3)16(18)19-12-15(13-20(4,5)6)14-10-8-7-9-11-14/h7-13H2,1-6H3
InChIKeyZFKMAHRAAWRPHB-UHFFFAOYSA-N
MW296.53 g/mol
LogP5.17
Rot. Bonds4

About (2-cyclohexylidene-3-trimethylsilylpropyl) 2,2-dimethylpropanoate

(2-cyclohexylidene-3-trimethylsilylpropyl) 2,2-dimethylpropanoate (PubChem CID 12062908) has the molecular formula C17H32O2Si and a molecular weight of 296.53 g/mol. Its IUPAC name is (2-cyclohexylidene-3-trimethylsilylpropyl) 2,2-dimethylpropanoate.

Molecular Properties

Compound Name(2-cyclohexylidene-3-trimethylsilylpropyl) 2,2-dimethylpropanoate
PubChem CID12062908
Molecular FormulaC17H32O2Si
Molecular Weight296.53 g/mol
Exact Mass296.22
IUPAC Name(2-cyclohexylidene-3-trimethylsilylpropyl) 2,2-dimethylpropanoate
SMILESCC(C)(C)C(=O)OCC(C[Si](C)(C)C)=C1CCCCC1
InChIInChI=1S/C17H32O2Si/c1-17(2,3)16(18)19-12-15(13-20(4,5)6)14-10-8-7-9-11-14/h7-13H2,1-6H3
InChIKeyZFKMAHRAAWRPHB-UHFFFAOYSA-N
XLogP5.17
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500296.53
LogP ≤ 55.17
H-Bond Donors ≤ 50
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-cyclohexylidene-3-trimethylsilylpropyl) 2,2-dimethylpropanoate?
The IUPAC name of (2-cyclohexylidene-3-trimethylsilylpropyl) 2,2-dimethylpropanoate (CID 12062908) is (2-cyclohexylidene-3-trimethylsilylpropyl) 2,2-dimethylpropanoate.
What is the SMILES notation for (2-cyclohexylidene-3-trimethylsilylpropyl) 2,2-dimethylpropanoate?
The canonical SMILES for (2-cyclohexylidene-3-trimethylsilylpropyl) 2,2-dimethylpropanoate is CC(C)(C)C(=O)OCC(C[Si](C)(C)C)=C1CCCCC1.
What is the InChIKey of (2-cyclohexylidene-3-trimethylsilylpropyl) 2,2-dimethylpropanoate?
The InChIKey is ZFKMAHRAAWRPHB-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H32O2Si/c1-17(2,3)16(18)19-12-15(13-20(4,5)6)14-10-8-7-9-11-14/h7-13H2,1-6H3.
What are the key properties of (2-cyclohexylidene-3-trimethylsilylpropyl) 2,2-dimethylpropanoate?
(2-cyclohexylidene-3-trimethylsilylpropyl) 2,2-dimethylpropanoate has a molecular weight of 296.53 g/mol, XLogP of 5.17, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (2-cyclohexylidene-3-trimethylsilylpropyl) 2,2-dimethylpropanoate is sourced from PubChem (CID 12062908), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).