acetic acid;ethane-1,2-diol;1-propoxypropane

C10H24O5 — CID 87173369

IUPACacetic acid;ethane-1,2-diol;1-propoxypropane
SMILESCC(=O)O.CCCOCCC.OCCO
InChIInChI=1S/C6H14O.C2H4O2.C2H6O2/c1-3-5-7-6-4-2;1-2(3)4;3-1-2-4/h3-6H2,1-2H3;1H3,(H,3,4);3-4H,1-2H2
InChIKeyABPCWIGGLYXXPW-UHFFFAOYSA-N
MW224.30 g/mol
LogP0.88
Rot. Bonds5

About acetic acid;ethane-1,2-diol;1-propoxypropane

acetic acid;ethane-1,2-diol;1-propoxypropane (PubChem CID 87173369) has the molecular formula C10H24O5 and a molecular weight of 224.30 g/mol. Its IUPAC name is acetic acid;ethane-1,2-diol;1-propoxypropane.

Molecular Properties

Compound Nameacetic acid;ethane-1,2-diol;1-propoxypropane
PubChem CID87173369
Molecular FormulaC10H24O5
Molecular Weight224.30 g/mol
Exact Mass224.16
IUPAC Nameacetic acid;ethane-1,2-diol;1-propoxypropane
SMILESCC(=O)O.CCCOCCC.OCCO
InChIInChI=1S/C6H14O.C2H4O2.C2H6O2/c1-3-5-7-6-4-2;1-2(3)4;3-1-2-4/h3-6H2,1-2H3;1H3,(H,3,4);3-4H,1-2H2
InChIKeyABPCWIGGLYXXPW-UHFFFAOYSA-N
XLogP0.88
TPSA86.99 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500224.30
LogP ≤ 50.88
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

Analyze acetic acid;ethane-1,2-diol;1-propoxypropane 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

ethane-1,2-diol;methane;1-propoxypropane
CID 19065615
acetic acid;2-(2-hydroxyethoxy)ethanol
CID 158067636
ethane-1,2-diol;formic acid;1-propoxypropane
CID 87831538
acetic acid;3-butoxypropan-1-ol
CID 71441465
2-[2-(2-hydroxyethoxy)ethoxy]ethanol;propanoic acid;1-propoxypropane
CID 87832524
acetic acid;butane-1,4-diol;1-butoxybutane
CID 87650498
acetic acid;1-butoxybutane
CID 22256220
2-[2-(2-hydroxyethoxy)ethoxy]ethyl acetate;1-propoxypropane
CID 87238314
bis(propan-1-ol);bis(2-propoxyethanol)
CID 157411921
2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-(2-propoxyethoxy)ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethanol
CID 20613004
4-hydroxybutyl acetate;1-propoxypropane
CID 87513978
2,3-dihydroxybutanedioic acid;2-(2-hydroxyethoxy)ethanol;2-(2-propoxyethoxy)ethanol
CID 87459170

Frequently Asked Questions

What is the IUPAC name of acetic acid;ethane-1,2-diol;1-propoxypropane?
The IUPAC name of acetic acid;ethane-1,2-diol;1-propoxypropane (CID 87173369) is acetic acid;ethane-1,2-diol;1-propoxypropane.
What is the SMILES notation for acetic acid;ethane-1,2-diol;1-propoxypropane?
The canonical SMILES for acetic acid;ethane-1,2-diol;1-propoxypropane is CC(=O)O.CCCOCCC.OCCO.
What is the InChIKey of acetic acid;ethane-1,2-diol;1-propoxypropane?
The InChIKey is ABPCWIGGLYXXPW-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H14O.C2H4O2.C2H6O2/c1-3-5-7-6-4-2;1-2(3)4;3-1-2-4/h3-6H2,1-2H3;1H3,(H,3,4);3-4H,1-2H2.
What are the key properties of acetic acid;ethane-1,2-diol;1-propoxypropane?
acetic acid;ethane-1,2-diol;1-propoxypropane has a molecular weight of 224.30 g/mol, XLogP of 0.88, 5 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for acetic acid;ethane-1,2-diol;1-propoxypropane is sourced from PubChem (CID 87173369), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).