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

C15H32O4 — CID 87247027

IUPAC2-[2-(2-hexoxypropoxy)propoxy]propan-1-ol
SMILESCCCCCCOC(C)COC(C)COC(C)CO
InChIInChI=1S/C15H32O4/c1-5-6-7-8-9-17-14(3)11-19-15(4)12-18-13(2)10-16/h13-16H,5-12H2,1-4H3
InChIKeyORUVRNUPHYNSLY-UHFFFAOYSA-N
MW276.42 g/mol
LogP2.77
Rot. Bonds13

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

2-[2-(2-hexoxypropoxy)propoxy]propan-1-ol (PubChem CID 87247027) has the molecular formula C15H32O4 and a molecular weight of 276.42 g/mol. Its IUPAC name is 2-[2-(2-hexoxypropoxy)propoxy]propan-1-ol.

Molecular Properties

Compound Name2-[2-(2-hexoxypropoxy)propoxy]propan-1-ol
PubChem CID87247027
Molecular FormulaC15H32O4
Molecular Weight276.42 g/mol
Exact Mass276.23
IUPAC Name2-[2-(2-hexoxypropoxy)propoxy]propan-1-ol
SMILESCCCCCCOC(C)COC(C)COC(C)CO
InChIInChI=1S/C15H32O4/c1-5-6-7-8-9-17-14(3)11-19-15(4)12-18-13(2)10-16/h13-16H,5-12H2,1-4H3
InChIKeyORUVRNUPHYNSLY-UHFFFAOYSA-N
XLogP2.77
TPSA47.92 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds13
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500276.42
LogP ≤ 52.77
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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Related Compounds

2-[2-[2-[2-(2-decoxypropoxy)propoxy]propoxy]propoxy]propan-1-ol
CID 139973297
2-[2-[2-[2-(2-octadecoxypropoxy)propoxy]propoxy]propoxy]propan-1-ol
CID 11478535
2-(2-heptoxypropoxy)propan-1-ol
CID 90302123
2-[2-(2-tetradecoxypropoxy)propoxy]propan-1-ol
CID 11234638
2-[2-[2-[2-[2-[2-[2-[2-[2-(2-butoxypropoxy)propoxy]propoxy]propoxy]propoxy]propoxy]propoxy]propoxy]propoxy]propan-1-ol
CID 88651680
methane;2-octadecoxypropan-1-ol
CID 178185801
2-[2-[2-[2-[2-[2-[2-[2-(2-dodecoxyethoxy)ethoxy]ethoxy]ethoxy]ethoxy]propoxy]propoxy]propoxy]propan-1-ol
CID 101170306
1-[1-(1-methoxypropan-2-yloxy)propan-2-yloxy]hexane
CID 140766817
2-[2-[2-[2-(2-propoxypropoxy)propoxy]propoxy]propoxy]propan-1-ol
CID 87591136
1-dodecoxy-3-[1-(1-hydroxypropan-2-yloxy)propan-2-yloxy]propan-2-ol
CID 87802655
2-[2-(6-methylheptoxy)propoxy]propan-1-ol
CID 154124865
1-[2-(2-decoxypropoxy)propoxy]decane
CID 19693399

Frequently Asked Questions

What is the IUPAC name of 2-[2-(2-hexoxypropoxy)propoxy]propan-1-ol?
The IUPAC name of 2-[2-(2-hexoxypropoxy)propoxy]propan-1-ol (CID 87247027) is 2-[2-(2-hexoxypropoxy)propoxy]propan-1-ol.
What is the SMILES notation for 2-[2-(2-hexoxypropoxy)propoxy]propan-1-ol?
The canonical SMILES for 2-[2-(2-hexoxypropoxy)propoxy]propan-1-ol is CCCCCCOC(C)COC(C)COC(C)CO.
What is the InChIKey of 2-[2-(2-hexoxypropoxy)propoxy]propan-1-ol?
The InChIKey is ORUVRNUPHYNSLY-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H32O4/c1-5-6-7-8-9-17-14(3)11-19-15(4)12-18-13(2)10-16/h13-16H,5-12H2,1-4H3.
What are the key properties of 2-[2-(2-hexoxypropoxy)propoxy]propan-1-ol?
2-[2-(2-hexoxypropoxy)propoxy]propan-1-ol has a molecular weight of 276.42 g/mol, XLogP of 2.77, 13 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-(2-hexoxypropoxy)propoxy]propan-1-ol is sourced from PubChem (CID 87247027), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).