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

C14H24OSi — CID 25260242

IUPAC3-methyl-3-(5-trimethylsilylpent-4-ynyl)cyclopentan-1-one
SMILESCC1(CCCC#C[Si](C)(C)C)CCC(=O)C1
InChIInChI=1S/C14H24OSi/c1-14(10-8-13(15)12-14)9-6-5-7-11-16(2,3)4/h5-6,8-10,12H2,1-4H3
InChIKeyNRJLBWLCXSENSA-UHFFFAOYSA-N
MW236.43 g/mol
LogP3.80
Rot. Bonds3

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

3-methyl-3-(5-trimethylsilylpent-4-ynyl)cyclopentan-1-one (PubChem CID 25260242) has the molecular formula C14H24OSi and a molecular weight of 236.43 g/mol. Its IUPAC name is 3-methyl-3-(5-trimethylsilylpent-4-ynyl)cyclopentan-1-one.

Molecular Properties

Compound Name3-methyl-3-(5-trimethylsilylpent-4-ynyl)cyclopentan-1-one
PubChem CID25260242
Molecular FormulaC14H24OSi
Molecular Weight236.43 g/mol
Exact Mass236.16
IUPAC Name3-methyl-3-(5-trimethylsilylpent-4-ynyl)cyclopentan-1-one
SMILESCC1(CCCC#C[Si](C)(C)C)CCC(=O)C1
InChIInChI=1S/C14H24OSi/c1-14(10-8-13(15)12-14)9-6-5-7-11-16(2,3)4/h5-6,8-10,12H2,1-4H3
InChIKeyNRJLBWLCXSENSA-UHFFFAOYSA-N
XLogP3.80
TPSA17.07 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500236.43
LogP ≤ 53.80
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

3-methyl-3-(3-methylsulfanylpropyl)cyclopentan-1-one
CID 116538551
(3S)-3-methyl-3-propylcyclopentan-1-one
CID 171036794
3-methyl-3-prop-2-enylcyclopentan-1-one
CID 10034694
3-(2-ethylsulfanylethyl)-3-methylcyclopentan-1-one
CID 116538521
3-(2-ethylsulfonylethyl)-3-methylcyclopentan-1-one
CID 106732194
(3S)-3-methyl-2-methylidene-3-(4-trimethylsilylbut-3-ynyl)cyclohexan-1-one
CID 154721761
cis-(2S,3R)-2-iodo-3-methyl-3-(4-trimethylsilylbut-3-ynyl)cyclohexan-1-one
CID 101089142
(3R)-3-[4-[tert-butyl(dimethyl)silyl]oxybutyl]-3-methylcyclohexan-1-one
CID 131746606
(3R)-3-methyl-3-propylcyclohexan-1-one
CID 131183126
1-(4-trimethylsilylbut-3-ynyl)pyrrolidine-2,5-dione
CID 134872238
4-ethyl-4-(2-trimethylsilylethynyl)cyclohexan-1-one
CID 131868971
(3S)-2-iodo-2-methyl-3-(4-trimethylsilylbut-3-ynyl)cyclohexan-1-one
CID 134965624

Frequently Asked Questions

What is the IUPAC name of 3-methyl-3-(5-trimethylsilylpent-4-ynyl)cyclopentan-1-one?
The IUPAC name of 3-methyl-3-(5-trimethylsilylpent-4-ynyl)cyclopentan-1-one (CID 25260242) is 3-methyl-3-(5-trimethylsilylpent-4-ynyl)cyclopentan-1-one.
What is the SMILES notation for 3-methyl-3-(5-trimethylsilylpent-4-ynyl)cyclopentan-1-one?
The canonical SMILES for 3-methyl-3-(5-trimethylsilylpent-4-ynyl)cyclopentan-1-one is CC1(CCCC#C[Si](C)(C)C)CCC(=O)C1.
What is the InChIKey of 3-methyl-3-(5-trimethylsilylpent-4-ynyl)cyclopentan-1-one?
The InChIKey is NRJLBWLCXSENSA-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H24OSi/c1-14(10-8-13(15)12-14)9-6-5-7-11-16(2,3)4/h5-6,8-10,12H2,1-4H3.
What are the key properties of 3-methyl-3-(5-trimethylsilylpent-4-ynyl)cyclopentan-1-one?
3-methyl-3-(5-trimethylsilylpent-4-ynyl)cyclopentan-1-one has a molecular weight of 236.43 g/mol, XLogP of 3.80, 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)cyclopentan-1-one is sourced from PubChem (CID 25260242), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).