1-tri(propan-2-yl)silylbutane-1,3-dione

C13H26O2Si — CID 101255818

IUPAC1-tri(propan-2-yl)silylbutane-1,3-dione
SMILESCC(=O)CC(=O)[Si](C(C)C)(C(C)C)C(C)C
InChIInChI=1S/C13H26O2Si/c1-9(2)16(10(3)4,11(5)6)13(15)8-12(7)14/h9-11H,8H2,1-7H3
InChIKeyMZSOIXYZIMETEO-UHFFFAOYSA-N
MW242.43 g/mol
LogP3.75
Rot. Bonds6

About 1-tri(propan-2-yl)silylbutane-1,3-dione

1-tri(propan-2-yl)silylbutane-1,3-dione (PubChem CID 101255818) has the molecular formula C13H26O2Si and a molecular weight of 242.43 g/mol. Its IUPAC name is 1-tri(propan-2-yl)silylbutane-1,3-dione.

Molecular Properties

Compound Name1-tri(propan-2-yl)silylbutane-1,3-dione
PubChem CID101255818
Molecular FormulaC13H26O2Si
Molecular Weight242.43 g/mol
Exact Mass242.17
IUPAC Name1-tri(propan-2-yl)silylbutane-1,3-dione
SMILESCC(=O)CC(=O)[Si](C(C)C)(C(C)C)C(C)C
InChIInChI=1S/C13H26O2Si/c1-9(2)16(10(3)4,11(5)6)13(15)8-12(7)14/h9-11H,8H2,1-7H3
InChIKeyMZSOIXYZIMETEO-UHFFFAOYSA-N
XLogP3.75
TPSA34.14 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500242.43
LogP ≤ 53.75
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'beta-keto/anhydride', 'substructure': 'N/A'}, {'alert_name': 'heavy_metal', 'substructure': 'N/A'}

Analyze 1-tri(propan-2-yl)silylbutane-1,3-dione with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 1-tri(propan-2-yl)silylbutane-1,3-dione?
The IUPAC name of 1-tri(propan-2-yl)silylbutane-1,3-dione (CID 101255818) is 1-tri(propan-2-yl)silylbutane-1,3-dione.
What is the SMILES notation for 1-tri(propan-2-yl)silylbutane-1,3-dione?
The canonical SMILES for 1-tri(propan-2-yl)silylbutane-1,3-dione is CC(=O)CC(=O)[Si](C(C)C)(C(C)C)C(C)C.
What is the InChIKey of 1-tri(propan-2-yl)silylbutane-1,3-dione?
The InChIKey is MZSOIXYZIMETEO-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H26O2Si/c1-9(2)16(10(3)4,11(5)6)13(15)8-12(7)14/h9-11H,8H2,1-7H3.
What are the key properties of 1-tri(propan-2-yl)silylbutane-1,3-dione?
1-tri(propan-2-yl)silylbutane-1,3-dione has a molecular weight of 242.43 g/mol, XLogP of 3.75, 6 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-tri(propan-2-yl)silylbutane-1,3-dione is sourced from PubChem (CID 101255818), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).