bis(3-oxohexanoic acid);silane

C12H24O6Si — CID 175228530

IUPACbis(3-oxohexanoic acid);silane
SMILESCCCC(=O)CC(=O)O.CCCC(=O)CC(=O)O.[SiH4]
InChIInChI=1S/2C6H10O3.H4Si/c2*1-2-3-5(7)4-6(8)9;/h2*2-4H2,1H3,(H,8,9);1H4
InChIKeyBNPPNHIBUPSDCO-UHFFFAOYSA-N
MW292.40 g/mol
LogP0.21
Rot. Bonds8

About bis(3-oxohexanoic acid);silane

bis(3-oxohexanoic acid);silane (PubChem CID 175228530) has the molecular formula C12H24O6Si and a molecular weight of 292.40 g/mol. Its IUPAC name is bis(3-oxohexanoic acid);silane.

Molecular Properties

Compound Namebis(3-oxohexanoic acid);silane
PubChem CID175228530
Molecular FormulaC12H24O6Si
Molecular Weight292.40 g/mol
Exact Mass292.13
IUPAC Namebis(3-oxohexanoic acid);silane
SMILESCCCC(=O)CC(=O)O.CCCC(=O)CC(=O)O.[SiH4]
InChIInChI=1S/2C6H10O3.H4Si/c2*1-2-3-5(7)4-6(8)9;/h2*2-4H2,1H3,(H,8,9);1H4
InChIKeyBNPPNHIBUPSDCO-UHFFFAOYSA-N
XLogP0.21
TPSA108.74 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500292.40
LogP ≤ 50.21
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

Analyze bis(3-oxohexanoic acid);silane with MolForge

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

Launch Full Analysis

Related Compounds

2-ethoxyethanol;3-oxohexanoic acid
CID 88812724
2,4-dioxoheptanoic acid
CID 23169167
heptane-2,4-dione;palladium(2+)
CID 21417766
bis(heptane-2,4-dione);platinum
CID 158167242
3,16-dioxooctadecanedioic acid
CID 22644280
3-oxohexanedioic acid;sulfane
CID 174916165
3-methylidenehexanoic acid
CID 13159263
tris(3-oxohexanoate);ruthenium(3+)
CID 159943529
6-oxononanoic acid
CID 5282981
bis(3-oxohexanoate);bis(zirconium(4+))
CID 158362077
butanoic acid;copper
CID 57425269
CID 87408506
CID 87408506

Frequently Asked Questions

What is the IUPAC name of bis(3-oxohexanoic acid);silane?
The IUPAC name of bis(3-oxohexanoic acid);silane (CID 175228530) is bis(3-oxohexanoic acid);silane.
What is the SMILES notation for bis(3-oxohexanoic acid);silane?
The canonical SMILES for bis(3-oxohexanoic acid);silane is CCCC(=O)CC(=O)O.CCCC(=O)CC(=O)O.[SiH4].
What is the InChIKey of bis(3-oxohexanoic acid);silane?
The InChIKey is BNPPNHIBUPSDCO-UHFFFAOYSA-N. The full InChI is InChI=1S/2C6H10O3.H4Si/c2*1-2-3-5(7)4-6(8)9;/h2*2-4H2,1H3,(H,8,9);1H4.
What are the key properties of bis(3-oxohexanoic acid);silane?
bis(3-oxohexanoic acid);silane has a molecular weight of 292.40 g/mol, XLogP of 0.21, 8 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for bis(3-oxohexanoic acid);silane is sourced from PubChem (CID 175228530), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).