strontium;4-ethoxy-4-methoxy-2,2,6,6-tetramethylheptane-3,5-dione;hydride

C14H28O4Sr — CID 175263243

IUPACstrontium;4-ethoxy-4-methoxy-2,2,6,6-tetramethylheptane-3,5-dione;hydride
SMILESCCOC(OC)(C(=O)C(C)(C)C)C(=O)C(C)(C)C.[H-].[H-].[Sr+2]
InChIInChI=1S/C14H26O4.Sr.2H/c1-9-18-14(17-8,10(15)12(2,3)4)11(16)13(5,6)7;;;/h9H2,1-8H3;;;/q;+2;2*-1
InChIKeyDIUXCRIFINCZLZ-UHFFFAOYSA-N
MW347.99 g/mol
LogP2.44
Rot. Bonds5

About strontium;4-ethoxy-4-methoxy-2,2,6,6-tetramethylheptane-3,5-dione;hydride

strontium;4-ethoxy-4-methoxy-2,2,6,6-tetramethylheptane-3,5-dione;hydride (PubChem CID 175263243) has the molecular formula C14H28O4Sr and a molecular weight of 347.99 g/mol. Its IUPAC name is strontium;4-ethoxy-4-methoxy-2,2,6,6-tetramethylheptane-3,5-dione;hydride.

Molecular Properties

Compound Namestrontium;4-ethoxy-4-methoxy-2,2,6,6-tetramethylheptane-3,5-dione;hydride
PubChem CID175263243
Molecular FormulaC14H28O4Sr
Molecular Weight347.99 g/mol
Exact Mass348.10
IUPAC Namestrontium;4-ethoxy-4-methoxy-2,2,6,6-tetramethylheptane-3,5-dione;hydride
SMILESCCOC(OC)(C(=O)C(C)(C)C)C(=O)C(C)(C)C.[H-].[H-].[Sr+2]
InChIInChI=1S/C14H26O4.Sr.2H/c1-9-18-14(17-8,10(15)12(2,3)4)11(16)13(5,6)7;;;/h9H2,1-8H3;;;/q;+2;2*-1
InChIKeyDIUXCRIFINCZLZ-UHFFFAOYSA-N
XLogP2.44
TPSA52.60 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500347.99
LogP ≤ 52.44
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

Analyze strontium;4-ethoxy-4-methoxy-2,2,6,6-tetramethylheptane-3,5-dione;hydride 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 strontium;4-ethoxy-4-methoxy-2,2,6,6-tetramethylheptane-3,5-dione;hydride?
The IUPAC name of strontium;4-ethoxy-4-methoxy-2,2,6,6-tetramethylheptane-3,5-dione;hydride (CID 175263243) is strontium;4-ethoxy-4-methoxy-2,2,6,6-tetramethylheptane-3,5-dione;hydride.
What is the SMILES notation for strontium;4-ethoxy-4-methoxy-2,2,6,6-tetramethylheptane-3,5-dione;hydride?
The canonical SMILES for strontium;4-ethoxy-4-methoxy-2,2,6,6-tetramethylheptane-3,5-dione;hydride is CCOC(OC)(C(=O)C(C)(C)C)C(=O)C(C)(C)C.[H-].[H-].[Sr+2].
What is the InChIKey of strontium;4-ethoxy-4-methoxy-2,2,6,6-tetramethylheptane-3,5-dione;hydride?
The InChIKey is DIUXCRIFINCZLZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H26O4.Sr.2H/c1-9-18-14(17-8,10(15)12(2,3)4)11(16)13(5,6)7;;;/h9H2,1-8H3;;;/q;+2;2*-1.
What are the key properties of strontium;4-ethoxy-4-methoxy-2,2,6,6-tetramethylheptane-3,5-dione;hydride?
strontium;4-ethoxy-4-methoxy-2,2,6,6-tetramethylheptane-3,5-dione;hydride has a molecular weight of 347.99 g/mol, XLogP of 2.44, 5 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for strontium;4-ethoxy-4-methoxy-2,2,6,6-tetramethylheptane-3,5-dione;hydride is sourced from PubChem (CID 175263243), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).