1-tri(propan-2-yl)silylhex-5-yn-1-one

C15H28OSi — CID 11780006

IUPAC1-tri(propan-2-yl)silylhex-5-yn-1-one
SMILESC#CCCCC(=O)[Si](C(C)C)(C(C)C)C(C)C
InChIInChI=1S/C15H28OSi/c1-8-9-10-11-15(16)17(12(2)3,13(4)5)14(6)7/h1,12-14H,9-11H2,2-7H3
InChIKeyHFSVGFYCFFXSKP-UHFFFAOYSA-N
MW252.47 g/mol
LogP4.58
Rot. Bonds7

About 1-tri(propan-2-yl)silylhex-5-yn-1-one

1-tri(propan-2-yl)silylhex-5-yn-1-one (PubChem CID 11780006) has the molecular formula C15H28OSi and a molecular weight of 252.47 g/mol. Its IUPAC name is 1-tri(propan-2-yl)silylhex-5-yn-1-one.

Molecular Properties

Compound Name1-tri(propan-2-yl)silylhex-5-yn-1-one
PubChem CID11780006
Molecular FormulaC15H28OSi
Molecular Weight252.47 g/mol
Exact Mass252.19
IUPAC Name1-tri(propan-2-yl)silylhex-5-yn-1-one
SMILESC#CCCCC(=O)[Si](C(C)C)(C(C)C)C(C)C
InChIInChI=1S/C15H28OSi/c1-8-9-10-11-15(16)17(12(2)3,13(4)5)14(6)7/h1,12-14H,9-11H2,2-7H3
InChIKeyHFSVGFYCFFXSKP-UHFFFAOYSA-N
XLogP4.58
TPSA17.07 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds7
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500252.47
LogP ≤ 54.58
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-Trimethylsilylhept-2-yn-1-one
CID 10866979
1-Heptyn-3-one, 1-(trimethylsilyl)-
CID 11019511
Butyl trimethylsilyl ketone
CID 12829471
1,6-Bis(trimethylsilyl)hex-5-yn-1-one
CID 101375060
Hept-6-ynoyl(trimethyl)silane
CID 642595
7-Trimethylsilylhept-6-yn-2-one
CID 10559358
1-Trimethylsilylhex-5-yn-2-one
CID 87801726
1-Trimethylsilylundeca-1,7,9-triyn-3-one
CID 89717097
2-Trimethylsilylhex-5-ynal
CID 145156781
1-Trimethylsilylhex-5-yn-1-one
CID 173649309

Frequently Asked Questions

What is the IUPAC name of 1-tri(propan-2-yl)silylhex-5-yn-1-one?
The IUPAC name of 1-tri(propan-2-yl)silylhex-5-yn-1-one (CID 11780006) is 1-tri(propan-2-yl)silylhex-5-yn-1-one.
What is the SMILES notation for 1-tri(propan-2-yl)silylhex-5-yn-1-one?
The canonical SMILES for 1-tri(propan-2-yl)silylhex-5-yn-1-one is C#CCCCC(=O)[Si](C(C)C)(C(C)C)C(C)C.
What is the InChIKey of 1-tri(propan-2-yl)silylhex-5-yn-1-one?
The InChIKey is HFSVGFYCFFXSKP-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H28OSi/c1-8-9-10-11-15(16)17(12(2)3,13(4)5)14(6)7/h1,12-14H,9-11H2,2-7H3.
What are the key properties of 1-tri(propan-2-yl)silylhex-5-yn-1-one?
1-tri(propan-2-yl)silylhex-5-yn-1-one has a molecular weight of 252.47 g/mol, XLogP of 4.58, 7 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-tri(propan-2-yl)silylhex-5-yn-1-one is sourced from PubChem (CID 11780006), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).