4,4-dimethyl-7-trimethylsilylhept-6-yn-2-one

C12H22OSi — CID 10584598

IUPAC4,4-dimethyl-7-trimethylsilylhept-6-yn-2-one
SMILESCC(=O)CC(C)(C)CC#C[Si](C)(C)C
InChIInChI=1S/C12H22OSi/c1-11(13)10-12(2,3)8-7-9-14(4,5)6/h8,10H2,1-6H3
InChIKeyMDHPVXSLZNTPAI-UHFFFAOYSA-N
MW210.39 g/mol
LogP3.26
Rot. Bonds3

About 4,4-dimethyl-7-trimethylsilylhept-6-yn-2-one

4,4-dimethyl-7-trimethylsilylhept-6-yn-2-one (PubChem CID 10584598) has the molecular formula C12H22OSi and a molecular weight of 210.39 g/mol. Its IUPAC name is 4,4-dimethyl-7-trimethylsilylhept-6-yn-2-one.

Molecular Properties

Compound Name4,4-dimethyl-7-trimethylsilylhept-6-yn-2-one
PubChem CID10584598
Molecular FormulaC12H22OSi
Molecular Weight210.39 g/mol
Exact Mass210.14
IUPAC Name4,4-dimethyl-7-trimethylsilylhept-6-yn-2-one
SMILESCC(=O)CC(C)(C)CC#C[Si](C)(C)C
InChIInChI=1S/C12H22OSi/c1-11(13)10-12(2,3)8-7-9-14(4,5)6/h8,10H2,1-6H3
InChIKeyMDHPVXSLZNTPAI-UHFFFAOYSA-N
XLogP3.26
TPSA17.07 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500210.39
LogP ≤ 53.26
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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Related Compounds

3-(2-Trimethylsilylethynyl)cyclopentan-1-one
CID 86019140
(3R)-3-methyl-3-(3-trimethylsilylprop-2-ynyl)heptan-2-one
CID 16719376
5,5-Dimethyl-1-trimethylsilylhexan-3-one
CID 100921794
(3S)-3-[2-tri(propan-2-yl)silylethynyl]cyclopentan-1-one
CID 135000672
(3S)-3-methyl-3-(5-trimethylsilylpent-4-ynyl)cyclopentan-1-one
CID 162401892
2,2-Dimethyl-5,7-bis(trimethylsilyl)hept-6-yn-3-one
CID 166438595
4-Methyl-4-((trimethylsilyl)ethynyl)cyclohexanone
CID 57523556
2-Methyl-7-trimethylsilylhept-6-yn-3-one
CID 57691775
4,4-Dimethyl-1-trimethylsilylhexan-3-one
CID 58205907
6,6-Dimethyl-1-tri(propan-2-yl)silylhept-1-yn-4-one
CID 59628205
1-[Tert-butyl(dimethyl)silyl]-6,6-dimethylhept-1-yn-4-one
CID 59628210
6,6-Dimethyl-1-trimethylsilylhept-1-yn-4-one
CID 59628212

Frequently Asked Questions

What is the IUPAC name of 4,4-dimethyl-7-trimethylsilylhept-6-yn-2-one?
The IUPAC name of 4,4-dimethyl-7-trimethylsilylhept-6-yn-2-one (CID 10584598) is 4,4-dimethyl-7-trimethylsilylhept-6-yn-2-one.
What is the SMILES notation for 4,4-dimethyl-7-trimethylsilylhept-6-yn-2-one?
The canonical SMILES for 4,4-dimethyl-7-trimethylsilylhept-6-yn-2-one is CC(=O)CC(C)(C)CC#C[Si](C)(C)C.
What is the InChIKey of 4,4-dimethyl-7-trimethylsilylhept-6-yn-2-one?
The InChIKey is MDHPVXSLZNTPAI-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H22OSi/c1-11(13)10-12(2,3)8-7-9-14(4,5)6/h8,10H2,1-6H3.
What are the key properties of 4,4-dimethyl-7-trimethylsilylhept-6-yn-2-one?
4,4-dimethyl-7-trimethylsilylhept-6-yn-2-one has a molecular weight of 210.39 g/mol, XLogP of 3.26, 3 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 4,4-dimethyl-7-trimethylsilylhept-6-yn-2-one is sourced from PubChem (CID 10584598), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).