4-cyclohexyl-5-trimethylsilyloxyhexan-3-one

C15H30O2Si — CID 134859510

IUPAC4-cyclohexyl-5-trimethylsilyloxyhexan-3-one
SMILESCCC(=O)C(C1CCCCC1)C(C)O[Si](C)(C)C
InChIInChI=1S/C15H30O2Si/c1-6-14(16)15(12(2)17-18(3,4)5)13-10-8-7-9-11-13/h12-13,15H,6-11H2,1-5H3
InChIKeyNYOLAFQNDGCXET-UHFFFAOYSA-N
MW270.49 g/mol
LogP4.40
Rot. Bonds6

About 4-cyclohexyl-5-trimethylsilyloxyhexan-3-one

4-cyclohexyl-5-trimethylsilyloxyhexan-3-one (PubChem CID 134859510) has the molecular formula C15H30O2Si and a molecular weight of 270.49 g/mol. Its IUPAC name is 4-cyclohexyl-5-trimethylsilyloxyhexan-3-one.

Molecular Properties

Compound Name4-cyclohexyl-5-trimethylsilyloxyhexan-3-one
PubChem CID134859510
Molecular FormulaC15H30O2Si
Molecular Weight270.49 g/mol
Exact Mass270.20
IUPAC Name4-cyclohexyl-5-trimethylsilyloxyhexan-3-one
SMILESCCC(=O)C(C1CCCCC1)C(C)O[Si](C)(C)C
InChIInChI=1S/C15H30O2Si/c1-6-14(16)15(12(2)17-18(3,4)5)13-10-8-7-9-11-13/h12-13,15H,6-11H2,1-5H3
InChIKeyNYOLAFQNDGCXET-UHFFFAOYSA-N
XLogP4.40
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500270.49
LogP ≤ 54.40
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 4-cyclohexyl-5-trimethylsilyloxyhexan-3-one?
The IUPAC name of 4-cyclohexyl-5-trimethylsilyloxyhexan-3-one (CID 134859510) is 4-cyclohexyl-5-trimethylsilyloxyhexan-3-one.
What is the SMILES notation for 4-cyclohexyl-5-trimethylsilyloxyhexan-3-one?
The canonical SMILES for 4-cyclohexyl-5-trimethylsilyloxyhexan-3-one is CCC(=O)C(C1CCCCC1)C(C)O[Si](C)(C)C.
What is the InChIKey of 4-cyclohexyl-5-trimethylsilyloxyhexan-3-one?
The InChIKey is NYOLAFQNDGCXET-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H30O2Si/c1-6-14(16)15(12(2)17-18(3,4)5)13-10-8-7-9-11-13/h12-13,15H,6-11H2,1-5H3.
What are the key properties of 4-cyclohexyl-5-trimethylsilyloxyhexan-3-one?
4-cyclohexyl-5-trimethylsilyloxyhexan-3-one has a molecular weight of 270.49 g/mol, XLogP of 4.40, 6 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-cyclohexyl-5-trimethylsilyloxyhexan-3-one is sourced from PubChem (CID 134859510), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).