2-[2-(2-butoxypropoxy)propoxy]propan-1-ol

C13H28O4 — CID 22495263

IUPAC2-[2-(2-butoxypropoxy)propoxy]propan-1-ol
SMILESCCCCOC(C)COC(C)COC(C)CO
InChIInChI=1S/C13H28O4/c1-5-6-7-15-12(3)9-17-13(4)10-16-11(2)8-14/h11-14H,5-10H2,1-4H3
InChIKeyJDSQBDGCMUXRBM-UHFFFAOYSA-N
MW248.36 g/mol
LogP1.99
Rot. Bonds11

About 2-[2-(2-butoxypropoxy)propoxy]propan-1-ol

2-[2-(2-butoxypropoxy)propoxy]propan-1-ol (PubChem CID 22495263) has the molecular formula C13H28O4 and a molecular weight of 248.36 g/mol. Its IUPAC name is 2-[2-(2-butoxypropoxy)propoxy]propan-1-ol.

Molecular Properties

Compound Name2-[2-(2-butoxypropoxy)propoxy]propan-1-ol
PubChem CID22495263
Molecular FormulaC13H28O4
Molecular Weight248.36 g/mol
Exact Mass248.20
IUPAC Name2-[2-(2-butoxypropoxy)propoxy]propan-1-ol
SMILESCCCCOC(C)COC(C)COC(C)CO
InChIInChI=1S/C13H28O4/c1-5-6-7-15-12(3)9-17-13(4)10-16-11(2)8-14/h11-14H,5-10H2,1-4H3
InChIKeyJDSQBDGCMUXRBM-UHFFFAOYSA-N
XLogP1.99
TPSA47.92 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds11
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500248.36
LogP ≤ 51.99
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 2-[2-(2-butoxypropoxy)propoxy]propan-1-ol?
The IUPAC name of 2-[2-(2-butoxypropoxy)propoxy]propan-1-ol (CID 22495263) is 2-[2-(2-butoxypropoxy)propoxy]propan-1-ol.
What is the SMILES notation for 2-[2-(2-butoxypropoxy)propoxy]propan-1-ol?
The canonical SMILES for 2-[2-(2-butoxypropoxy)propoxy]propan-1-ol is CCCCOC(C)COC(C)COC(C)CO.
What is the InChIKey of 2-[2-(2-butoxypropoxy)propoxy]propan-1-ol?
The InChIKey is JDSQBDGCMUXRBM-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H28O4/c1-5-6-7-15-12(3)9-17-13(4)10-16-11(2)8-14/h11-14H,5-10H2,1-4H3.
What are the key properties of 2-[2-(2-butoxypropoxy)propoxy]propan-1-ol?
2-[2-(2-butoxypropoxy)propoxy]propan-1-ol has a molecular weight of 248.36 g/mol, XLogP of 1.99, 11 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-(2-butoxypropoxy)propoxy]propan-1-ol is sourced from PubChem (CID 22495263), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).