4-cyclohexyl-4-trimethylsilylnon-5-en-3-one

C18H34OSi — CID 70581188

IUPAC4-cyclohexyl-4-trimethylsilylnon-5-en-3-one
SMILESCCCC=CC(C(=O)CC)(C1CCCCC1)[Si](C)(C)C
InChIInChI=1S/C18H34OSi/c1-6-8-12-15-18(17(19)7-2,20(3,4)5)16-13-10-9-11-14-16/h12,15-16H,6-11,13-14H2,1-5H3
InChIKeyVAHLLSMRDKAILY-UHFFFAOYSA-N
MW294.56 g/mol
LogP5.98
Rot. Bonds7

About 4-cyclohexyl-4-trimethylsilylnon-5-en-3-one

4-cyclohexyl-4-trimethylsilylnon-5-en-3-one (PubChem CID 70581188) has the molecular formula C18H34OSi and a molecular weight of 294.56 g/mol. Its IUPAC name is 4-cyclohexyl-4-trimethylsilylnon-5-en-3-one.

Molecular Properties

Compound Name4-cyclohexyl-4-trimethylsilylnon-5-en-3-one
PubChem CID70581188
Molecular FormulaC18H34OSi
Molecular Weight294.56 g/mol
Exact Mass294.24
IUPAC Name4-cyclohexyl-4-trimethylsilylnon-5-en-3-one
SMILESCCCC=CC(C(=O)CC)(C1CCCCC1)[Si](C)(C)C
InChIInChI=1S/C18H34OSi/c1-6-8-12-15-18(17(19)7-2,20(3,4)5)16-13-10-9-11-14-16/h12,15-16H,6-11,13-14H2,1-5H3
InChIKeyVAHLLSMRDKAILY-UHFFFAOYSA-N
XLogP5.98
TPSA17.07 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds7
Heavy Atoms20
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500294.56
LogP ≤ 55.98
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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 4-cyclohexyl-4-trimethylsilylnon-5-en-3-one?
The IUPAC name of 4-cyclohexyl-4-trimethylsilylnon-5-en-3-one (CID 70581188) is 4-cyclohexyl-4-trimethylsilylnon-5-en-3-one.
What is the SMILES notation for 4-cyclohexyl-4-trimethylsilylnon-5-en-3-one?
The canonical SMILES for 4-cyclohexyl-4-trimethylsilylnon-5-en-3-one is CCCC=CC(C(=O)CC)(C1CCCCC1)[Si](C)(C)C.
What is the InChIKey of 4-cyclohexyl-4-trimethylsilylnon-5-en-3-one?
The InChIKey is VAHLLSMRDKAILY-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H34OSi/c1-6-8-12-15-18(17(19)7-2,20(3,4)5)16-13-10-9-11-14-16/h12,15-16H,6-11,13-14H2,1-5H3.
What are the key properties of 4-cyclohexyl-4-trimethylsilylnon-5-en-3-one?
4-cyclohexyl-4-trimethylsilylnon-5-en-3-one has a molecular weight of 294.56 g/mol, XLogP of 5.98, 7 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 4-cyclohexyl-4-trimethylsilylnon-5-en-3-one is sourced from PubChem (CID 70581188), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).