1-trimethylsilylhept-2-yn-1-one

C10H18OSi — CID 10866979

IUPAC1-trimethylsilylhept-2-yn-1-one
SMILESCCCCC#CC(=O)[Si](C)(C)C
InChIInChI=1S/C10H18OSi/c1-5-6-7-8-9-10(11)12(2,3)4/h5-7H2,1-4H3
InChIKeyGXBBHSFGUIYZHP-UHFFFAOYSA-N
MW182.34 g/mol
LogP2.63
Rot. Bonds3

About 1-trimethylsilylhept-2-yn-1-one

1-trimethylsilylhept-2-yn-1-one (PubChem CID 10866979) has the molecular formula C10H18OSi and a molecular weight of 182.34 g/mol. Its IUPAC name is 1-trimethylsilylhept-2-yn-1-one.

Molecular Properties

Compound Name1-trimethylsilylhept-2-yn-1-one
PubChem CID10866979
Molecular FormulaC10H18OSi
Molecular Weight182.34 g/mol
Exact Mass182.11
IUPAC Name1-trimethylsilylhept-2-yn-1-one
SMILESCCCCC#CC(=O)[Si](C)(C)C
InChIInChI=1S/C10H18OSi/c1-5-6-7-8-9-10(11)12(2,3)4/h5-7H2,1-4H3
InChIKeyGXBBHSFGUIYZHP-UHFFFAOYSA-N
XLogP2.63
TPSA17.07 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500182.34
LogP ≤ 52.63
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'heavy_metal', 'substructure': 'N/A'}, {'alert_name': 'triple_bond', 'substructure': 'N/A'}

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Related Compounds

1-(Trimethylsilyl)hex-1-yn-3-one
CID 337061
6-(Trimethylsilyl)hex-5-yn-2-one
CID 11182860
1-[tert-Butyl(dimethyl)silyl]but-2-yn-1-one
CID 12929564
4-[(1,1-Dimethylethyl)dimethylsilyl]-3-butyn-2-one
CID 21609410
4-(Triisopropylsilyl)but-3-yn-2-one
CID 11708389
1-[Tert-butyl(dimethyl)silyl]prop-2-yn-1-one
CID 12929563
1-Trimethylsilylnon-2-yn-1-one
CID 3706813
6-Trimethylsilylhexa-3,5-diyn-2-one
CID 11275194
3-Butyn-2-one, 4-(triethylsilyl)-
CID 11469464
1-Tri(propan-2-yl)silylhex-5-yn-1-one
CID 11780006
(Hex-1-yn-1-yloxy)triisopropylsilane
CID 11821158
Triethyl(trimethylsilylpropyn-oyl)germane
CID 13284838

Frequently Asked Questions

What is the IUPAC name of 1-trimethylsilylhept-2-yn-1-one?
The IUPAC name of 1-trimethylsilylhept-2-yn-1-one (CID 10866979) is 1-trimethylsilylhept-2-yn-1-one.
What is the SMILES notation for 1-trimethylsilylhept-2-yn-1-one?
The canonical SMILES for 1-trimethylsilylhept-2-yn-1-one is CCCCC#CC(=O)[Si](C)(C)C.
What is the InChIKey of 1-trimethylsilylhept-2-yn-1-one?
The InChIKey is GXBBHSFGUIYZHP-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H18OSi/c1-5-6-7-8-9-10(11)12(2,3)4/h5-7H2,1-4H3.
What are the key properties of 1-trimethylsilylhept-2-yn-1-one?
1-trimethylsilylhept-2-yn-1-one has a molecular weight of 182.34 g/mol, XLogP of 2.63, 3 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-trimethylsilylhept-2-yn-1-one is sourced from PubChem (CID 10866979), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).