(1S,3S,4R)-1-cyclohexyl-4-hydroxy-3-methyl-1-trimethylsilyloxyhexan-2-one

C16H32O3Si — CID 11001087

IUPAC(1S,3S,4R)-1-cyclohexyl-4-hydroxy-3-methyl-1-trimethylsilyloxyhexan-2-one
SMILESCC[C@@H](O)[C@H](C)C(=O)[C@@H](O[Si](C)(C)C)C1CCCCC1
InChIInChI=1S/C16H32O3Si/c1-6-14(17)12(2)15(18)16(19-20(3,4)5)13-10-8-7-9-11-13/h12-14,16-17H,6-11H2,1-5H3/t12-,14+,16-/m0/s1
InChIKeyCZWZGGJGZUBJOM-BJJXKVORSA-N
MW300.51 g/mol
LogP3.76
Rot. Bonds7

About (1S,3S,4R)-1-cyclohexyl-4-hydroxy-3-methyl-1-trimethylsilyloxyhexan-2-one

(1S,3S,4R)-1-cyclohexyl-4-hydroxy-3-methyl-1-trimethylsilyloxyhexan-2-one (PubChem CID 11001087) has the molecular formula C16H32O3Si and a molecular weight of 300.51 g/mol. Its IUPAC name is (1S,3S,4R)-1-cyclohexyl-4-hydroxy-3-methyl-1-trimethylsilyloxyhexan-2-one.

Molecular Properties

Compound Name(1S,3S,4R)-1-cyclohexyl-4-hydroxy-3-methyl-1-trimethylsilyloxyhexan-2-one
PubChem CID11001087
Molecular FormulaC16H32O3Si
Molecular Weight300.51 g/mol
Exact Mass300.21
IUPAC Name(1S,3S,4R)-1-cyclohexyl-4-hydroxy-3-methyl-1-trimethylsilyloxyhexan-2-one
SMILESCC[C@@H](O)[C@H](C)C(=O)[C@@H](O[Si](C)(C)C)C1CCCCC1
InChIInChI=1S/C16H32O3Si/c1-6-14(17)12(2)15(18)16(19-20(3,4)5)13-10-8-7-9-11-13/h12-14,16-17H,6-11H2,1-5H3/t12-,14+,16-/m0/s1
InChIKeyCZWZGGJGZUBJOM-BJJXKVORSA-N
XLogP3.76
TPSA46.53 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500300.51
LogP ≤ 53.76
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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 (1S,3S,4R)-1-cyclohexyl-4-hydroxy-3-methyl-1-trimethylsilyloxyhexan-2-one?
The IUPAC name of (1S,3S,4R)-1-cyclohexyl-4-hydroxy-3-methyl-1-trimethylsilyloxyhexan-2-one (CID 11001087) is (1S,3S,4R)-1-cyclohexyl-4-hydroxy-3-methyl-1-trimethylsilyloxyhexan-2-one.
What is the SMILES notation for (1S,3S,4R)-1-cyclohexyl-4-hydroxy-3-methyl-1-trimethylsilyloxyhexan-2-one?
The canonical SMILES for (1S,3S,4R)-1-cyclohexyl-4-hydroxy-3-methyl-1-trimethylsilyloxyhexan-2-one is CC[C@@H](O)[C@H](C)C(=O)[C@@H](O[Si](C)(C)C)C1CCCCC1.
What is the InChIKey of (1S,3S,4R)-1-cyclohexyl-4-hydroxy-3-methyl-1-trimethylsilyloxyhexan-2-one?
The InChIKey is CZWZGGJGZUBJOM-BJJXKVORSA-N. The full InChI is InChI=1S/C16H32O3Si/c1-6-14(17)12(2)15(18)16(19-20(3,4)5)13-10-8-7-9-11-13/h12-14,16-17H,6-11H2,1-5H3/t12-,14+,16-/m0/s1.
What are the key properties of (1S,3S,4R)-1-cyclohexyl-4-hydroxy-3-methyl-1-trimethylsilyloxyhexan-2-one?
(1S,3S,4R)-1-cyclohexyl-4-hydroxy-3-methyl-1-trimethylsilyloxyhexan-2-one has a molecular weight of 300.51 g/mol, XLogP of 3.76, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (1S,3S,4R)-1-cyclohexyl-4-hydroxy-3-methyl-1-trimethylsilyloxyhexan-2-one is sourced from PubChem (CID 11001087), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).