3,3,5-trimethyl-5-[(Z)-4-trimethylsilylbut-1-en-3-ynyl]cyclohexan-1-one

C16H26OSi — CID 11832237

IUPAC3,3,5-trimethyl-5-[(Z)-4-trimethylsilylbut-1-en-3-ynyl]cyclohexan-1-one
SMILESCC1(C)CC(=O)CC(C)(/C=C\C#C[Si](C)(C)C)C1
InChIInChI=1S/C16H26OSi/c1-15(2)11-14(17)12-16(3,13-15)9-7-8-10-18(4,5)6/h7,9H,11-13H2,1-6H3/b9-7-
InChIKeyTVGNLPYNIDBBED-CLFYSBASSA-N
MW262.47 g/mol
LogP4.21
Rot. Bonds1

About 3,3,5-trimethyl-5-[(Z)-4-trimethylsilylbut-1-en-3-ynyl]cyclohexan-1-one

3,3,5-trimethyl-5-[(Z)-4-trimethylsilylbut-1-en-3-ynyl]cyclohexan-1-one (PubChem CID 11832237) has the molecular formula C16H26OSi and a molecular weight of 262.47 g/mol. Its IUPAC name is 3,3,5-trimethyl-5-[(Z)-4-trimethylsilylbut-1-en-3-ynyl]cyclohexan-1-one.

Molecular Properties

Compound Name3,3,5-trimethyl-5-[(Z)-4-trimethylsilylbut-1-en-3-ynyl]cyclohexan-1-one
PubChem CID11832237
Molecular FormulaC16H26OSi
Molecular Weight262.47 g/mol
Exact Mass262.18
IUPAC Name3,3,5-trimethyl-5-[(Z)-4-trimethylsilylbut-1-en-3-ynyl]cyclohexan-1-one
SMILESCC1(C)CC(=O)CC(C)(/C=C\C#C[Si](C)(C)C)C1
InChIInChI=1S/C16H26OSi/c1-15(2)11-14(17)12-16(3,13-15)9-7-8-10-18(4,5)6/h7,9H,11-13H2,1-6H3/b9-7-
InChIKeyTVGNLPYNIDBBED-CLFYSBASSA-N
XLogP4.21
TPSA17.07 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500262.47
LogP ≤ 54.21
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 3,3,5-trimethyl-5-[(Z)-4-trimethylsilylbut-1-en-3-ynyl]cyclohexan-1-one?
The IUPAC name of 3,3,5-trimethyl-5-[(Z)-4-trimethylsilylbut-1-en-3-ynyl]cyclohexan-1-one (CID 11832237) is 3,3,5-trimethyl-5-[(Z)-4-trimethylsilylbut-1-en-3-ynyl]cyclohexan-1-one.
What is the SMILES notation for 3,3,5-trimethyl-5-[(Z)-4-trimethylsilylbut-1-en-3-ynyl]cyclohexan-1-one?
The canonical SMILES for 3,3,5-trimethyl-5-[(Z)-4-trimethylsilylbut-1-en-3-ynyl]cyclohexan-1-one is CC1(C)CC(=O)CC(C)(/C=C\C#C[Si](C)(C)C)C1.
What is the InChIKey of 3,3,5-trimethyl-5-[(Z)-4-trimethylsilylbut-1-en-3-ynyl]cyclohexan-1-one?
The InChIKey is TVGNLPYNIDBBED-CLFYSBASSA-N. The full InChI is InChI=1S/C16H26OSi/c1-15(2)11-14(17)12-16(3,13-15)9-7-8-10-18(4,5)6/h7,9H,11-13H2,1-6H3/b9-7-.
What are the key properties of 3,3,5-trimethyl-5-[(Z)-4-trimethylsilylbut-1-en-3-ynyl]cyclohexan-1-one?
3,3,5-trimethyl-5-[(Z)-4-trimethylsilylbut-1-en-3-ynyl]cyclohexan-1-one has a molecular weight of 262.47 g/mol, XLogP of 4.21, 1 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 3,3,5-trimethyl-5-[(Z)-4-trimethylsilylbut-1-en-3-ynyl]cyclohexan-1-one is sourced from PubChem (CID 11832237), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).