3-methyl-3-(5-trimethylsilylpent-4-ynyl)cycloheptan-1-one

C16H28OSi — CID 46848364

IUPAC3-methyl-3-(5-trimethylsilylpent-4-ynyl)cycloheptan-1-one
SMILESCC1(CCCC#C[Si](C)(C)C)CCCCC(=O)C1
InChIInChI=1S/C16H28OSi/c1-16(12-8-6-10-15(17)14-16)11-7-5-9-13-18(2,3)4/h5-8,10-12,14H2,1-4H3
InChIKeyHNVAPOGYPGCADY-UHFFFAOYSA-N
MW264.48 g/mol
LogP4.58
Rot. Bonds3

About 3-methyl-3-(5-trimethylsilylpent-4-ynyl)cycloheptan-1-one

3-methyl-3-(5-trimethylsilylpent-4-ynyl)cycloheptan-1-one (PubChem CID 46848364) has the molecular formula C16H28OSi and a molecular weight of 264.48 g/mol. Its IUPAC name is 3-methyl-3-(5-trimethylsilylpent-4-ynyl)cycloheptan-1-one.

Molecular Properties

Compound Name3-methyl-3-(5-trimethylsilylpent-4-ynyl)cycloheptan-1-one
PubChem CID46848364
Molecular FormulaC16H28OSi
Molecular Weight264.48 g/mol
Exact Mass264.19
IUPAC Name3-methyl-3-(5-trimethylsilylpent-4-ynyl)cycloheptan-1-one
SMILESCC1(CCCC#C[Si](C)(C)C)CCCCC(=O)C1
InChIInChI=1S/C16H28OSi/c1-16(12-8-6-10-15(17)14-16)11-7-5-9-13-18(2,3)4/h5-8,10-12,14H2,1-4H3
InChIKeyHNVAPOGYPGCADY-UHFFFAOYSA-N
XLogP4.58
TPSA17.07 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500264.48
LogP ≤ 54.58
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

(3R)-3-methyl-3-(3-trimethylsilylprop-2-ynyl)heptan-2-one
CID 16719376
(3R)-3-(2-methylpropyl)-3-(2-trimethylsilylethynyl)cyclohexan-1-one
CID 52921058
4-Tert-butyl-2-(3-trimethylsilylprop-2-ynyl)cyclohexan-1-one
CID 75040801
4-Methyl-1-trimethylsilyldec-1-yn-3-one
CID 101512279
4-Tert-butyl-2-methyl-6-(3-trimethylsilylprop-2-ynyl)cyclohexan-1-one
CID 135049648
(3S)-3-methyl-3-(5-trimethylsilylpent-4-ynyl)cyclopentan-1-one
CID 162401892
2-Acetyl-2-(2-trimethylsilylethynyl)cyclohexan-1-one
CID 164668741
(3R,5R)-3-[fluoro-di(propan-2-yl)silyl]spiro[4.6]undecan-11-one
CID 10851665
2-(3-Trimethylsilylprop-2-ynyl)cycloheptan-1-one
CID 11436008
5,5-Bis(2-triethylsilylethynyl)undecan-6-one
CID 86233962
2-Iodo-3-methyl-3-(4-trimethylsilylbut-3-ynyl)cycloheptan-1-one
CID 86243351
5,5,9-Trimethyl-1-trimethylsilyldecan-2-one
CID 56989741

Frequently Asked Questions

What is the IUPAC name of 3-methyl-3-(5-trimethylsilylpent-4-ynyl)cycloheptan-1-one?
The IUPAC name of 3-methyl-3-(5-trimethylsilylpent-4-ynyl)cycloheptan-1-one (CID 46848364) is 3-methyl-3-(5-trimethylsilylpent-4-ynyl)cycloheptan-1-one.
What is the SMILES notation for 3-methyl-3-(5-trimethylsilylpent-4-ynyl)cycloheptan-1-one?
The canonical SMILES for 3-methyl-3-(5-trimethylsilylpent-4-ynyl)cycloheptan-1-one is CC1(CCCC#C[Si](C)(C)C)CCCCC(=O)C1.
What is the InChIKey of 3-methyl-3-(5-trimethylsilylpent-4-ynyl)cycloheptan-1-one?
The InChIKey is HNVAPOGYPGCADY-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H28OSi/c1-16(12-8-6-10-15(17)14-16)11-7-5-9-13-18(2,3)4/h5-8,10-12,14H2,1-4H3.
What are the key properties of 3-methyl-3-(5-trimethylsilylpent-4-ynyl)cycloheptan-1-one?
3-methyl-3-(5-trimethylsilylpent-4-ynyl)cycloheptan-1-one has a molecular weight of 264.48 g/mol, XLogP of 4.58, 3 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methyl-3-(5-trimethylsilylpent-4-ynyl)cycloheptan-1-one is sourced from PubChem (CID 46848364), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).