2-[(E,1S)-1-hydroxy-4-methyl-6-trimethylsilylhex-4-enyl]cyclohex-2-en-1-one

C16H28O2Si — CID 24867797

IUPAC2-[(E,1S)-1-hydroxy-4-methyl-6-trimethylsilylhex-4-enyl]cyclohex-2-en-1-one
SMILESC/C(=C\C[Si](C)(C)C)CC[C@H](O)C1=CCCCC1=O
InChIInChI=1S/C16H28O2Si/c1-13(11-12-19(2,3)4)9-10-16(18)14-7-5-6-8-15(14)17/h7,11,16,18H,5-6,8-10,12H2,1-4H3/b13-11+/t16-/m0/s1
InChIKeyOCMYGRLIIUMCLJ-BYIUCRAPSA-N
MW280.48 g/mol
LogP4.09
Rot. Bonds6

About 2-[(E,1S)-1-hydroxy-4-methyl-6-trimethylsilylhex-4-enyl]cyclohex-2-en-1-one

2-[(E,1S)-1-hydroxy-4-methyl-6-trimethylsilylhex-4-enyl]cyclohex-2-en-1-one (PubChem CID 24867797) has the molecular formula C16H28O2Si and a molecular weight of 280.48 g/mol. Its IUPAC name is 2-[(E,1S)-1-hydroxy-4-methyl-6-trimethylsilylhex-4-enyl]cyclohex-2-en-1-one.

Molecular Properties

Compound Name2-[(E,1S)-1-hydroxy-4-methyl-6-trimethylsilylhex-4-enyl]cyclohex-2-en-1-one
PubChem CID24867797
Molecular FormulaC16H28O2Si
Molecular Weight280.48 g/mol
Exact Mass280.19
IUPAC Name2-[(E,1S)-1-hydroxy-4-methyl-6-trimethylsilylhex-4-enyl]cyclohex-2-en-1-one
SMILESC/C(=C\C[Si](C)(C)C)CC[C@H](O)C1=CCCCC1=O
InChIInChI=1S/C16H28O2Si/c1-13(11-12-19(2,3)4)9-10-16(18)14-7-5-6-8-15(14)17/h7,11,16,18H,5-6,8-10,12H2,1-4H3/b13-11+/t16-/m0/s1
InChIKeyOCMYGRLIIUMCLJ-BYIUCRAPSA-N
XLogP4.09
TPSA37.30 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500280.48
LogP ≤ 54.09
H-Bond Donors ≤ 51
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-[(E,1S)-1-hydroxy-4-methyl-6-trimethylsilylhex-4-enyl]cyclohex-2-en-1-one?
The IUPAC name of 2-[(E,1S)-1-hydroxy-4-methyl-6-trimethylsilylhex-4-enyl]cyclohex-2-en-1-one (CID 24867797) is 2-[(E,1S)-1-hydroxy-4-methyl-6-trimethylsilylhex-4-enyl]cyclohex-2-en-1-one.
What is the SMILES notation for 2-[(E,1S)-1-hydroxy-4-methyl-6-trimethylsilylhex-4-enyl]cyclohex-2-en-1-one?
The canonical SMILES for 2-[(E,1S)-1-hydroxy-4-methyl-6-trimethylsilylhex-4-enyl]cyclohex-2-en-1-one is C/C(=C\C[Si](C)(C)C)CC[C@H](O)C1=CCCCC1=O.
What is the InChIKey of 2-[(E,1S)-1-hydroxy-4-methyl-6-trimethylsilylhex-4-enyl]cyclohex-2-en-1-one?
The InChIKey is OCMYGRLIIUMCLJ-BYIUCRAPSA-N. The full InChI is InChI=1S/C16H28O2Si/c1-13(11-12-19(2,3)4)9-10-16(18)14-7-5-6-8-15(14)17/h7,11,16,18H,5-6,8-10,12H2,1-4H3/b13-11+/t16-/m0/s1.
What are the key properties of 2-[(E,1S)-1-hydroxy-4-methyl-6-trimethylsilylhex-4-enyl]cyclohex-2-en-1-one?
2-[(E,1S)-1-hydroxy-4-methyl-6-trimethylsilylhex-4-enyl]cyclohex-2-en-1-one has a molecular weight of 280.48 g/mol, XLogP of 4.09, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(E,1S)-1-hydroxy-4-methyl-6-trimethylsilylhex-4-enyl]cyclohex-2-en-1-one is sourced from PubChem (CID 24867797), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).