4,4-dimethyl-1-tri(propan-2-yl)silylpent-1-yn-3-one

C16H30OSi — CID 42637685

IUPAC4,4-dimethyl-1-tri(propan-2-yl)silylpent-1-yn-3-one
SMILESCC(C)[Si](C#CC(=O)C(C)(C)C)(C(C)C)C(C)C
InChIInChI=1S/C16H30OSi/c1-12(2)18(13(3)4,14(5)6)11-10-15(17)16(7,8)9/h12-14H,1-9H3
InChIKeyFMESUNHCQRQTBO-UHFFFAOYSA-N
MW266.50 g/mol
LogP4.82
Rot. Bonds3

About 4,4-dimethyl-1-tri(propan-2-yl)silylpent-1-yn-3-one

4,4-dimethyl-1-tri(propan-2-yl)silylpent-1-yn-3-one (PubChem CID 42637685) has the molecular formula C16H30OSi and a molecular weight of 266.50 g/mol. Its IUPAC name is 4,4-dimethyl-1-tri(propan-2-yl)silylpent-1-yn-3-one.

Molecular Properties

Compound Name4,4-dimethyl-1-tri(propan-2-yl)silylpent-1-yn-3-one
PubChem CID42637685
Molecular FormulaC16H30OSi
Molecular Weight266.50 g/mol
Exact Mass266.21
IUPAC Name4,4-dimethyl-1-tri(propan-2-yl)silylpent-1-yn-3-one
SMILESCC(C)[Si](C#CC(=O)C(C)(C)C)(C(C)C)C(C)C
InChIInChI=1S/C16H30OSi/c1-12(2)18(13(3)4,14(5)6)11-10-15(17)16(7,8)9/h12-14H,1-9H3
InChIKeyFMESUNHCQRQTBO-UHFFFAOYSA-N
XLogP4.82
TPSA17.07 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500266.50
LogP ≤ 54.82
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
3,3-Dimethyl-1-trimethylsilylbutan-2-one
CID 13540822
3,3-Dimethyl-1-triethylsilylbutan-2-one
CID 13540823
4-Methyl-1-(triisopropylsilyl)pent-1-yn-3-one
CID 15358119
8-[Tert-butyl(dimethyl)silyl]oxy-2,2-dimethyloct-4-yn-3-one
CID 85843029
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
6,6-Dimethyl-1-trimethylsilylhepta-1,4-diyn-3-one
CID 140863657
6,6-Dimethyl-1-triethylsilylhepta-1,4-diyn-3-one
CID 173650382
2,2,4-Trimethyl-7-trimethylsilylhept-5-yn-3-one
CID 10900276

Frequently Asked Questions

What is the IUPAC name of 4,4-dimethyl-1-tri(propan-2-yl)silylpent-1-yn-3-one?
The IUPAC name of 4,4-dimethyl-1-tri(propan-2-yl)silylpent-1-yn-3-one (CID 42637685) is 4,4-dimethyl-1-tri(propan-2-yl)silylpent-1-yn-3-one.
What is the SMILES notation for 4,4-dimethyl-1-tri(propan-2-yl)silylpent-1-yn-3-one?
The canonical SMILES for 4,4-dimethyl-1-tri(propan-2-yl)silylpent-1-yn-3-one is CC(C)[Si](C#CC(=O)C(C)(C)C)(C(C)C)C(C)C.
What is the InChIKey of 4,4-dimethyl-1-tri(propan-2-yl)silylpent-1-yn-3-one?
The InChIKey is FMESUNHCQRQTBO-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H30OSi/c1-12(2)18(13(3)4,14(5)6)11-10-15(17)16(7,8)9/h12-14H,1-9H3.
What are the key properties of 4,4-dimethyl-1-tri(propan-2-yl)silylpent-1-yn-3-one?
4,4-dimethyl-1-tri(propan-2-yl)silylpent-1-yn-3-one has a molecular weight of 266.50 g/mol, XLogP of 4.82, 3 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 4,4-dimethyl-1-tri(propan-2-yl)silylpent-1-yn-3-one is sourced from PubChem (CID 42637685), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).