1-cyclopropyl-4-trimethylsilylbut-3-yn-2-one

C10H16OSi — CID 130055544

IUPAC1-cyclopropyl-4-trimethylsilylbut-3-yn-2-one
SMILESC[Si](C)(C)C#CC(=O)CC1CC1
InChIInChI=1S/C10H16OSi/c1-12(2,3)7-6-10(11)8-9-4-5-9/h9H,4-5,8H2,1-3H3
InChIKeyJZJJRCVFCGOXMO-UHFFFAOYSA-N
MW180.32 g/mol
LogP2.24
Rot. Bonds2

About 1-cyclopropyl-4-trimethylsilylbut-3-yn-2-one

1-cyclopropyl-4-trimethylsilylbut-3-yn-2-one (PubChem CID 130055544) has the molecular formula C10H16OSi and a molecular weight of 180.32 g/mol. Its IUPAC name is 1-cyclopropyl-4-trimethylsilylbut-3-yn-2-one.

Molecular Properties

Compound Name1-cyclopropyl-4-trimethylsilylbut-3-yn-2-one
PubChem CID130055544
Molecular FormulaC10H16OSi
Molecular Weight180.32 g/mol
Exact Mass180.10
IUPAC Name1-cyclopropyl-4-trimethylsilylbut-3-yn-2-one
SMILESC[Si](C)(C)C#CC(=O)CC1CC1
InChIInChI=1S/C10H16OSi/c1-12(2,3)7-6-10(11)8-9-4-5-9/h9H,4-5,8H2,1-3H3
InChIKeyJZJJRCVFCGOXMO-UHFFFAOYSA-N
XLogP2.24
TPSA17.07 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500180.32
LogP ≤ 52.24
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-4-trimethylsilylbut-3-yn-2-one?
The IUPAC name of 1-cyclopropyl-4-trimethylsilylbut-3-yn-2-one (CID 130055544) is 1-cyclopropyl-4-trimethylsilylbut-3-yn-2-one.
What is the SMILES notation for 1-cyclopropyl-4-trimethylsilylbut-3-yn-2-one?
The canonical SMILES for 1-cyclopropyl-4-trimethylsilylbut-3-yn-2-one is C[Si](C)(C)C#CC(=O)CC1CC1.
What is the InChIKey of 1-cyclopropyl-4-trimethylsilylbut-3-yn-2-one?
The InChIKey is JZJJRCVFCGOXMO-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H16OSi/c1-12(2,3)7-6-10(11)8-9-4-5-9/h9H,4-5,8H2,1-3H3.
What are the key properties of 1-cyclopropyl-4-trimethylsilylbut-3-yn-2-one?
1-cyclopropyl-4-trimethylsilylbut-3-yn-2-one has a molecular weight of 180.32 g/mol, XLogP of 2.24, 2 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-cyclopropyl-4-trimethylsilylbut-3-yn-2-one is sourced from PubChem (CID 130055544), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).