3-[3-(3-propoxypropoxy)propoxy]propan-1-ol

C12H26O4 — CID 4249185

IUPAC3-[3-(3-propoxypropoxy)propoxy]propan-1-ol
SMILESCCCOCCCOCCCOCCCO
InChIInChI=1S/C12H26O4/c1-2-7-14-9-4-11-16-12-5-10-15-8-3-6-13/h13H,2-12H2,1H3
InChIKeyRBXSGRQHTXDAAD-UHFFFAOYSA-N
MW234.34 g/mol
LogP1.61
Rot. Bonds13

About 3-[3-(3-propoxypropoxy)propoxy]propan-1-ol

3-[3-(3-propoxypropoxy)propoxy]propan-1-ol (PubChem CID 4249185) has the molecular formula C12H26O4 and a molecular weight of 234.34 g/mol. Its IUPAC name is 3-[3-(3-propoxypropoxy)propoxy]propan-1-ol.

Molecular Properties

Compound Name3-[3-(3-propoxypropoxy)propoxy]propan-1-ol
PubChem CID4249185
Molecular FormulaC12H26O4
Molecular Weight234.34 g/mol
Exact Mass234.18
IUPAC Name3-[3-(3-propoxypropoxy)propoxy]propan-1-ol
SMILESCCCOCCCOCCCOCCCO
InChIInChI=1S/C12H26O4/c1-2-7-14-9-4-11-16-12-5-10-15-8-3-6-13/h13H,2-12H2,1H3
InChIKeyRBXSGRQHTXDAAD-UHFFFAOYSA-N
XLogP1.61
TPSA47.92 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds13
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500234.34
LogP ≤ 51.61
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

Analyze 3-[3-(3-propoxypropoxy)propoxy]propan-1-ol 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

1-butoxybutane;3-butoxypropan-1-ol
CID 174728954
3-[3-[3-[3-(3-hydroxypropoxy)propoxy]propoxy]propoxy]propan-1-ol
CID 15061564
1-propoxy-3-(3-propoxypropoxy)propane
CID 90943526
2-(2-hydroxyethoxy)ethanol;1-(2-methoxyethoxy)propane;3-(2-methoxyethoxy)propan-1-ol;2-propoxyethanol
CID 162022873
3-[2-(3-ethoxypropoxy)ethoxy]propan-1-ol
CID 88558917
butan-1-ol;1-butoxybutane
CID 19700093
3-[3-[3-[3-[3-[3-[3-[3-[3-[6-[3-[3-[3-[3-[3-[3-[3-[3-[3-(3-hydroxypropoxy)propoxy]propoxy]propoxy]propoxy]propoxy]propoxy]propoxy]propoxy]propoxy]hexoxy]propoxy]propoxy]propoxy]propoxy]propoxy]propoxy]propoxy]propoxy]propan-1-ol
CID 59025207
ethane-1,2-diol;methane;1-propoxypropane
CID 19065615
2-[2-[2-[2-[2-(2-hydroxyethoxy)ethoxy]ethoxy]ethoxy]ethoxy]ethanol;1-propoxybutane
CID 175351747
2-[2-[2-[2-(2-hydroxyethoxy)ethoxy]ethoxy]ethoxy]ethanol;1-propoxybutane
CID 175100397
4-[4-(4-pentoxybutoxy)butoxy]butan-1-ol
CID 87472391
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

Frequently Asked Questions

What is the IUPAC name of 3-[3-(3-propoxypropoxy)propoxy]propan-1-ol?
The IUPAC name of 3-[3-(3-propoxypropoxy)propoxy]propan-1-ol (CID 4249185) is 3-[3-(3-propoxypropoxy)propoxy]propan-1-ol.
What is the SMILES notation for 3-[3-(3-propoxypropoxy)propoxy]propan-1-ol?
The canonical SMILES for 3-[3-(3-propoxypropoxy)propoxy]propan-1-ol is CCCOCCCOCCCOCCCO.
What is the InChIKey of 3-[3-(3-propoxypropoxy)propoxy]propan-1-ol?
The InChIKey is RBXSGRQHTXDAAD-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H26O4/c1-2-7-14-9-4-11-16-12-5-10-15-8-3-6-13/h13H,2-12H2,1H3.
What are the key properties of 3-[3-(3-propoxypropoxy)propoxy]propan-1-ol?
3-[3-(3-propoxypropoxy)propoxy]propan-1-ol has a molecular weight of 234.34 g/mol, XLogP of 1.61, 13 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[3-(3-propoxypropoxy)propoxy]propan-1-ol is sourced from PubChem (CID 4249185), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).