2-methyl-2-(5-trimethylsilylpent-3-ynyl)cyclohexane-1,3-dione

C15H24O2Si — CID 134897924

IUPAC2-methyl-2-(5-trimethylsilylpent-3-ynyl)cyclohexane-1,3-dione
SMILESCC1(CCC#CC[Si](C)(C)C)C(=O)CCCC1=O
InChIInChI=1S/C15H24O2Si/c1-15(13(16)9-8-10-14(15)17)11-6-5-7-12-18(2,3)4/h6,8-12H2,1-4H3
InChIKeyICOZSGUWSLCTPH-UHFFFAOYSA-N
MW264.44 g/mol
LogP3.44
Rot. Bonds3

About 2-methyl-2-(5-trimethylsilylpent-3-ynyl)cyclohexane-1,3-dione

2-methyl-2-(5-trimethylsilylpent-3-ynyl)cyclohexane-1,3-dione (PubChem CID 134897924) has the molecular formula C15H24O2Si and a molecular weight of 264.44 g/mol. Its IUPAC name is 2-methyl-2-(5-trimethylsilylpent-3-ynyl)cyclohexane-1,3-dione.

Molecular Properties

Compound Name2-methyl-2-(5-trimethylsilylpent-3-ynyl)cyclohexane-1,3-dione
PubChem CID134897924
Molecular FormulaC15H24O2Si
Molecular Weight264.44 g/mol
Exact Mass264.15
IUPAC Name2-methyl-2-(5-trimethylsilylpent-3-ynyl)cyclohexane-1,3-dione
SMILESCC1(CCC#CC[Si](C)(C)C)C(=O)CCCC1=O
InChIInChI=1S/C15H24O2Si/c1-15(13(16)9-8-10-14(15)17)11-6-5-7-12-18(2,3)4/h6,8-12H2,1-4H3
InChIKeyICOZSGUWSLCTPH-UHFFFAOYSA-N
XLogP3.44
TPSA34.14 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500264.44
LogP ≤ 53.44
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'beta-keto/anhydride', 'substructure': 'N/A'}, {'alert_name': 'heavy_metal', 'substructure': 'N/A'}, {'alert_name': 'triple_bond', 'substructure': 'N/A'}

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Related Compounds

1,3-Cyclohexanedione, 2-methyl-2-(2-propynyl)-
CID 544176
5,5-Dimethyl-2,2-bis(prop-2-ynyl)cyclohexane-1,3-dione
CID 11806105
(3S)-3-methyl-3-(3-trimethylsilylpropyl)cyclohexan-1-one
CID 72192762
(3R)-3-(2-methylpropyl)-3-(2-trimethylsilylethynyl)cyclohexan-1-one
CID 52921058
2-Hex-5-ynyl-2-methylcyclohexane-1,3-dione
CID 134834267
trans-(2S,3R)-2,3-dimethyl-2-(3-oxo-2-trimethylsilylbutyl)cyclohexan-1-one
CID 134889730
2-Acetyl-2-(2-trimethylsilylethynyl)cyclohexan-1-one
CID 164668741
2-Iodo-3-methyl-3-(4-trimethylsilylbut-3-ynyl)cyclohexan-1-one
CID 85784682
4-Methyl-4-((trimethylsilyl)ethynyl)cyclohexanone
CID 57523556
4-Butyl-4-(2-trimethylsilylethynyl)cyclohexan-1-one
CID 58388205
4-Propyl-4-(2-trimethylsilylethynyl)cyclohexan-1-one
CID 58388224
2-[Tert-butyl(dimethyl)silyl]-2-methylcyclohexane-1,3-dione
CID 67592133

Frequently Asked Questions

What is the IUPAC name of 2-methyl-2-(5-trimethylsilylpent-3-ynyl)cyclohexane-1,3-dione?
The IUPAC name of 2-methyl-2-(5-trimethylsilylpent-3-ynyl)cyclohexane-1,3-dione (CID 134897924) is 2-methyl-2-(5-trimethylsilylpent-3-ynyl)cyclohexane-1,3-dione.
What is the SMILES notation for 2-methyl-2-(5-trimethylsilylpent-3-ynyl)cyclohexane-1,3-dione?
The canonical SMILES for 2-methyl-2-(5-trimethylsilylpent-3-ynyl)cyclohexane-1,3-dione is CC1(CCC#CC[Si](C)(C)C)C(=O)CCCC1=O.
What is the InChIKey of 2-methyl-2-(5-trimethylsilylpent-3-ynyl)cyclohexane-1,3-dione?
The InChIKey is ICOZSGUWSLCTPH-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H24O2Si/c1-15(13(16)9-8-10-14(15)17)11-6-5-7-12-18(2,3)4/h6,8-12H2,1-4H3.
What are the key properties of 2-methyl-2-(5-trimethylsilylpent-3-ynyl)cyclohexane-1,3-dione?
2-methyl-2-(5-trimethylsilylpent-3-ynyl)cyclohexane-1,3-dione has a molecular weight of 264.44 g/mol, XLogP of 3.44, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-2-(5-trimethylsilylpent-3-ynyl)cyclohexane-1,3-dione is sourced from PubChem (CID 134897924), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).