2,2,4-trimethyl-7-trimethylsilylhept-5-yn-3-one

C13H24OSi — CID 10900276

IUPAC2,2,4-trimethyl-7-trimethylsilylhept-5-yn-3-one
SMILESCC(C#CC[Si](C)(C)C)C(=O)C(C)(C)C
InChIInChI=1S/C13H24OSi/c1-11(12(14)13(2,3)4)9-8-10-15(5,6)7/h11H,10H2,1-7H3
InChIKeyIVQHGOPIMSHFRV-UHFFFAOYSA-N
MW224.42 g/mol
LogP3.58
Rot. Bonds2

About 2,2,4-trimethyl-7-trimethylsilylhept-5-yn-3-one

2,2,4-trimethyl-7-trimethylsilylhept-5-yn-3-one (PubChem CID 10900276) has the molecular formula C13H24OSi and a molecular weight of 224.42 g/mol. Its IUPAC name is 2,2,4-trimethyl-7-trimethylsilylhept-5-yn-3-one.

Molecular Properties

Compound Name2,2,4-trimethyl-7-trimethylsilylhept-5-yn-3-one
PubChem CID10900276
Molecular FormulaC13H24OSi
Molecular Weight224.42 g/mol
Exact Mass224.16
IUPAC Name2,2,4-trimethyl-7-trimethylsilylhept-5-yn-3-one
SMILESCC(C#CC[Si](C)(C)C)C(=O)C(C)(C)C
InChIInChI=1S/C13H24OSi/c1-11(12(14)13(2,3)4)9-8-10-15(5,6)7/h11H,10H2,1-7H3
InChIKeyIVQHGOPIMSHFRV-UHFFFAOYSA-N
XLogP3.58
TPSA17.07 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500224.42
LogP ≤ 53.58
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

1-Pentyn-3-one, 4-methyl-1-(trimethylsilyl)-
CID 11116455
4,4-Dimethyl-1-(trimethylsilyl)pent-1-yn-3-one
CID 12529654
4-Methyl-1-trimethylsilylpentan-3-one
CID 12607719
4-Methyl-1-(triisopropylsilyl)pent-1-yn-3-one
CID 15358119
(4S)-4-methyl-6-tri(propan-2-yl)silylhex-5-yn-2-one
CID 101836454
2,2-Dimethyl-5,7-bis(trimethylsilyl)hept-6-yn-3-one
CID 166438595
4,4-Dimethyl-1-trimethylsilylpentan-2-one
CID 14272124
4,4-Dimethyl-1-tri(propan-2-yl)silylpent-1-yn-3-one
CID 42637685
5-Methyl-1-(trimethylsilyl)hex-1-yn-3-one
CID 12748616
4,4-Dimethyl-5-trimethylsilylpentan-2-one
CID 17756223
2-Methyl-7-trimethylsilylhept-6-yn-3-one
CID 57691775
6,6-Dimethyl-1-tri(propan-2-yl)silylhept-1-yn-4-one
CID 59628205

Frequently Asked Questions

What is the IUPAC name of 2,2,4-trimethyl-7-trimethylsilylhept-5-yn-3-one?
The IUPAC name of 2,2,4-trimethyl-7-trimethylsilylhept-5-yn-3-one (CID 10900276) is 2,2,4-trimethyl-7-trimethylsilylhept-5-yn-3-one.
What is the SMILES notation for 2,2,4-trimethyl-7-trimethylsilylhept-5-yn-3-one?
The canonical SMILES for 2,2,4-trimethyl-7-trimethylsilylhept-5-yn-3-one is CC(C#CC[Si](C)(C)C)C(=O)C(C)(C)C.
What is the InChIKey of 2,2,4-trimethyl-7-trimethylsilylhept-5-yn-3-one?
The InChIKey is IVQHGOPIMSHFRV-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H24OSi/c1-11(12(14)13(2,3)4)9-8-10-15(5,6)7/h11H,10H2,1-7H3.
What are the key properties of 2,2,4-trimethyl-7-trimethylsilylhept-5-yn-3-one?
2,2,4-trimethyl-7-trimethylsilylhept-5-yn-3-one has a molecular weight of 224.42 g/mol, XLogP of 3.58, 2 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2,2,4-trimethyl-7-trimethylsilylhept-5-yn-3-one is sourced from PubChem (CID 10900276), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).