2,3,4-trimethyl-4-(5-trimethylsilylpent-3-ynyl)cyclohex-2-en-1-one

C17H28OSi — CID 11065715

IUPAC2,3,4-trimethyl-4-(5-trimethylsilylpent-3-ynyl)cyclohex-2-en-1-one
SMILESCC1=C(C)C(C)(CCC#CC[Si](C)(C)C)CCC1=O
InChIInChI=1S/C17H28OSi/c1-14-15(2)17(3,12-10-16(14)18)11-8-7-9-13-19(4,5)6/h8,10-13H2,1-6H3
InChIKeyCTJXIECGGKDEQY-UHFFFAOYSA-N
MW276.50 g/mol
LogP4.81
Rot. Bonds3

About 2,3,4-trimethyl-4-(5-trimethylsilylpent-3-ynyl)cyclohex-2-en-1-one

2,3,4-trimethyl-4-(5-trimethylsilylpent-3-ynyl)cyclohex-2-en-1-one (PubChem CID 11065715) has the molecular formula C17H28OSi and a molecular weight of 276.50 g/mol. Its IUPAC name is 2,3,4-trimethyl-4-(5-trimethylsilylpent-3-ynyl)cyclohex-2-en-1-one.

Molecular Properties

Compound Name2,3,4-trimethyl-4-(5-trimethylsilylpent-3-ynyl)cyclohex-2-en-1-one
PubChem CID11065715
Molecular FormulaC17H28OSi
Molecular Weight276.50 g/mol
Exact Mass276.19
IUPAC Name2,3,4-trimethyl-4-(5-trimethylsilylpent-3-ynyl)cyclohex-2-en-1-one
SMILESCC1=C(C)C(C)(CCC#CC[Si](C)(C)C)CCC1=O
InChIInChI=1S/C17H28OSi/c1-14-15(2)17(3,12-10-16(14)18)11-8-7-9-13-19(4,5)6/h8,10-13H2,1-6H3
InChIKeyCTJXIECGGKDEQY-UHFFFAOYSA-N
XLogP4.81
TPSA17.07 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500276.50
LogP ≤ 54.81
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 2,3,4-trimethyl-4-(5-trimethylsilylpent-3-ynyl)cyclohex-2-en-1-one?
The IUPAC name of 2,3,4-trimethyl-4-(5-trimethylsilylpent-3-ynyl)cyclohex-2-en-1-one (CID 11065715) is 2,3,4-trimethyl-4-(5-trimethylsilylpent-3-ynyl)cyclohex-2-en-1-one.
What is the SMILES notation for 2,3,4-trimethyl-4-(5-trimethylsilylpent-3-ynyl)cyclohex-2-en-1-one?
The canonical SMILES for 2,3,4-trimethyl-4-(5-trimethylsilylpent-3-ynyl)cyclohex-2-en-1-one is CC1=C(C)C(C)(CCC#CC[Si](C)(C)C)CCC1=O.
What is the InChIKey of 2,3,4-trimethyl-4-(5-trimethylsilylpent-3-ynyl)cyclohex-2-en-1-one?
The InChIKey is CTJXIECGGKDEQY-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H28OSi/c1-14-15(2)17(3,12-10-16(14)18)11-8-7-9-13-19(4,5)6/h8,10-13H2,1-6H3.
What are the key properties of 2,3,4-trimethyl-4-(5-trimethylsilylpent-3-ynyl)cyclohex-2-en-1-one?
2,3,4-trimethyl-4-(5-trimethylsilylpent-3-ynyl)cyclohex-2-en-1-one has a molecular weight of 276.50 g/mol, XLogP of 4.81, 3 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2,3,4-trimethyl-4-(5-trimethylsilylpent-3-ynyl)cyclohex-2-en-1-one is sourced from PubChem (CID 11065715), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).