1-[tert-butyl(dimethyl)silyl]-6,6-dimethylhept-1-yn-4-one

C15H28OSi — CID 59628210

IUPAC1-[tert-butyl(dimethyl)silyl]-6,6-dimethylhept-1-yn-4-one
SMILESCC(C)(C)CC(=O)CC#C[Si](C)(C)C(C)(C)C
InChIInChI=1S/C15H28OSi/c1-14(2,3)12-13(16)10-9-11-17(7,8)15(4,5)6/h10,12H2,1-8H3
InChIKeyPKTDIBIXHRRSKA-UHFFFAOYSA-N
MW252.47 g/mol
LogP4.43
Rot. Bonds2

About 1-[tert-butyl(dimethyl)silyl]-6,6-dimethylhept-1-yn-4-one

1-[tert-butyl(dimethyl)silyl]-6,6-dimethylhept-1-yn-4-one (PubChem CID 59628210) has the molecular formula C15H28OSi and a molecular weight of 252.47 g/mol. Its IUPAC name is 1-[tert-butyl(dimethyl)silyl]-6,6-dimethylhept-1-yn-4-one.

Molecular Properties

Compound Name1-[tert-butyl(dimethyl)silyl]-6,6-dimethylhept-1-yn-4-one
PubChem CID59628210
Molecular FormulaC15H28OSi
Molecular Weight252.47 g/mol
Exact Mass252.19
IUPAC Name1-[tert-butyl(dimethyl)silyl]-6,6-dimethylhept-1-yn-4-one
SMILESCC(C)(C)CC(=O)CC#C[Si](C)(C)C(C)(C)C
InChIInChI=1S/C15H28OSi/c1-14(2,3)12-13(16)10-9-11-17(7,8)15(4,5)6/h10,12H2,1-8H3
InChIKeyPKTDIBIXHRRSKA-UHFFFAOYSA-N
XLogP4.43
TPSA17.07 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500252.47
LogP ≤ 54.43
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

4,4-Dimethyl-1-(trimethylsilyl)pent-1-yn-3-one
CID 12529654
7-Trimethylsilylhept-6-yn-3-one
CID 11401156
(3R)-3-methyl-3-(3-trimethylsilylprop-2-ynyl)heptan-2-one
CID 16719376
5,5-Dimethyl-1-trimethylsilylhexan-3-one
CID 100921794
(4S)-4-methyl-6-tri(propan-2-yl)silylhex-5-yn-2-one
CID 101836454
(5S)-5-methyl-7-tri(propan-2-yl)silylhept-6-yn-3-one
CID 101836455
(2S)-2-[dimethyl(2-methylpentan-2-yl)silyl]hexan-3-one
CID 134897153
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

Frequently Asked Questions

What is the IUPAC name of 1-[tert-butyl(dimethyl)silyl]-6,6-dimethylhept-1-yn-4-one?
The IUPAC name of 1-[tert-butyl(dimethyl)silyl]-6,6-dimethylhept-1-yn-4-one (CID 59628210) is 1-[tert-butyl(dimethyl)silyl]-6,6-dimethylhept-1-yn-4-one.
What is the SMILES notation for 1-[tert-butyl(dimethyl)silyl]-6,6-dimethylhept-1-yn-4-one?
The canonical SMILES for 1-[tert-butyl(dimethyl)silyl]-6,6-dimethylhept-1-yn-4-one is CC(C)(C)CC(=O)CC#C[Si](C)(C)C(C)(C)C.
What is the InChIKey of 1-[tert-butyl(dimethyl)silyl]-6,6-dimethylhept-1-yn-4-one?
The InChIKey is PKTDIBIXHRRSKA-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H28OSi/c1-14(2,3)12-13(16)10-9-11-17(7,8)15(4,5)6/h10,12H2,1-8H3.
What are the key properties of 1-[tert-butyl(dimethyl)silyl]-6,6-dimethylhept-1-yn-4-one?
1-[tert-butyl(dimethyl)silyl]-6,6-dimethylhept-1-yn-4-one has a molecular weight of 252.47 g/mol, XLogP of 4.43, 2 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[tert-butyl(dimethyl)silyl]-6,6-dimethylhept-1-yn-4-one is sourced from PubChem (CID 59628210), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).