1-[1-(1-propoxypropan-2-yloxy)propan-2-yloxy]propan-2-ol

C12H26O4 — CID 528429

IUPAC1-[1-(1-propoxypropan-2-yloxy)propan-2-yloxy]propan-2-ol
SMILESCCCOCC(C)OCC(C)OCC(C)O
InChIInChI=1S/C12H26O4/c1-5-6-14-8-11(3)16-9-12(4)15-7-10(2)13/h10-13H,5-9H2,1-4H3
InChIKeyJKEHLQXXZMANPK-UHFFFAOYSA-N
MW234.34 g/mol
LogP1.60
Rot. Bonds10

About 1-[1-(1-propoxypropan-2-yloxy)propan-2-yloxy]propan-2-ol

1-[1-(1-propoxypropan-2-yloxy)propan-2-yloxy]propan-2-ol (PubChem CID 528429) has the molecular formula C12H26O4 and a molecular weight of 234.34 g/mol. Its IUPAC name is 1-[1-(1-propoxypropan-2-yloxy)propan-2-yloxy]propan-2-ol.

Molecular Properties

Compound Name1-[1-(1-propoxypropan-2-yloxy)propan-2-yloxy]propan-2-ol
PubChem CID528429
Molecular FormulaC12H26O4
Molecular Weight234.34 g/mol
Exact Mass234.18
IUPAC Name1-[1-(1-propoxypropan-2-yloxy)propan-2-yloxy]propan-2-ol
SMILESCCCOCC(C)OCC(C)OCC(C)O
InChIInChI=1S/C12H26O4/c1-5-6-14-8-11(3)16-9-12(4)15-7-10(2)13/h10-13H,5-9H2,1-4H3
InChIKeyJKEHLQXXZMANPK-UHFFFAOYSA-N
XLogP1.60
TPSA47.92 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds10
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500234.34
LogP ≤ 51.60
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 1-[1-(1-propoxypropan-2-yloxy)propan-2-yloxy]propan-2-ol?
The IUPAC name of 1-[1-(1-propoxypropan-2-yloxy)propan-2-yloxy]propan-2-ol (CID 528429) is 1-[1-(1-propoxypropan-2-yloxy)propan-2-yloxy]propan-2-ol.
What is the SMILES notation for 1-[1-(1-propoxypropan-2-yloxy)propan-2-yloxy]propan-2-ol?
The canonical SMILES for 1-[1-(1-propoxypropan-2-yloxy)propan-2-yloxy]propan-2-ol is CCCOCC(C)OCC(C)OCC(C)O.
What is the InChIKey of 1-[1-(1-propoxypropan-2-yloxy)propan-2-yloxy]propan-2-ol?
The InChIKey is JKEHLQXXZMANPK-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H26O4/c1-5-6-14-8-11(3)16-9-12(4)15-7-10(2)13/h10-13H,5-9H2,1-4H3.
What are the key properties of 1-[1-(1-propoxypropan-2-yloxy)propan-2-yloxy]propan-2-ol?
1-[1-(1-propoxypropan-2-yloxy)propan-2-yloxy]propan-2-ol has a molecular weight of 234.34 g/mol, XLogP of 1.60, 10 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[1-(1-propoxypropan-2-yloxy)propan-2-yloxy]propan-2-ol is sourced from PubChem (CID 528429), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).