1-cyclopropyl-3-tri(propan-2-yl)silylprop-2-yn-1-one

C15H26OSi — CID 171037488

IUPAC1-cyclopropyl-3-tri(propan-2-yl)silylprop-2-yn-1-one
SMILESCC(C)[Si](C#CC(=O)C1CC1)(C(C)C)C(C)C
InChIInChI=1S/C15H26OSi/c1-11(2)17(12(3)4,13(5)6)10-9-15(16)14-7-8-14/h11-14H,7-8H2,1-6H3
InChIKeyNDWXLLJFFKDRDE-UHFFFAOYSA-N
MW250.46 g/mol
LogP4.19
Rot. Bonds4

About 1-cyclopropyl-3-tri(propan-2-yl)silylprop-2-yn-1-one

1-cyclopropyl-3-tri(propan-2-yl)silylprop-2-yn-1-one (PubChem CID 171037488) has the molecular formula C15H26OSi and a molecular weight of 250.46 g/mol. Its IUPAC name is 1-cyclopropyl-3-tri(propan-2-yl)silylprop-2-yn-1-one.

Molecular Properties

Compound Name1-cyclopropyl-3-tri(propan-2-yl)silylprop-2-yn-1-one
PubChem CID171037488
Molecular FormulaC15H26OSi
Molecular Weight250.46 g/mol
Exact Mass250.18
IUPAC Name1-cyclopropyl-3-tri(propan-2-yl)silylprop-2-yn-1-one
SMILESCC(C)[Si](C#CC(=O)C1CC1)(C(C)C)C(C)C
InChIInChI=1S/C15H26OSi/c1-11(2)17(12(3)4,13(5)6)10-9-15(16)14-7-8-14/h11-14H,7-8H2,1-6H3
InChIKeyNDWXLLJFFKDRDE-UHFFFAOYSA-N
XLogP4.19
TPSA17.07 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500250.46
LogP ≤ 54.19
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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Frequently Asked Questions

What is the IUPAC name of 1-cyclopropyl-3-tri(propan-2-yl)silylprop-2-yn-1-one?
The IUPAC name of 1-cyclopropyl-3-tri(propan-2-yl)silylprop-2-yn-1-one (CID 171037488) is 1-cyclopropyl-3-tri(propan-2-yl)silylprop-2-yn-1-one.
What is the SMILES notation for 1-cyclopropyl-3-tri(propan-2-yl)silylprop-2-yn-1-one?
The canonical SMILES for 1-cyclopropyl-3-tri(propan-2-yl)silylprop-2-yn-1-one is CC(C)[Si](C#CC(=O)C1CC1)(C(C)C)C(C)C.
What is the InChIKey of 1-cyclopropyl-3-tri(propan-2-yl)silylprop-2-yn-1-one?
The InChIKey is NDWXLLJFFKDRDE-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H26OSi/c1-11(2)17(12(3)4,13(5)6)10-9-15(16)14-7-8-14/h11-14H,7-8H2,1-6H3.
What are the key properties of 1-cyclopropyl-3-tri(propan-2-yl)silylprop-2-yn-1-one?
1-cyclopropyl-3-tri(propan-2-yl)silylprop-2-yn-1-one has a molecular weight of 250.46 g/mol, XLogP of 4.19, 4 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-cyclopropyl-3-tri(propan-2-yl)silylprop-2-yn-1-one is sourced from PubChem (CID 171037488), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).