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

C15H32O3 — CID 57074955

IUPAC1-[1-(1-propoxypropan-2-yloxy)propan-2-yloxy]hexane
SMILESCCCCCCOC(C)COC(C)COCCC
InChIInChI=1S/C15H32O3/c1-5-7-8-9-11-17-15(4)13-18-14(3)12-16-10-6-2/h14-15H,5-13H2,1-4H3
InChIKeyAYEBVJWLTYLNQY-UHFFFAOYSA-N
MW260.42 g/mol
LogP3.80
Rot. Bonds13

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

1-[1-(1-propoxypropan-2-yloxy)propan-2-yloxy]hexane (PubChem CID 57074955) has the molecular formula C15H32O3 and a molecular weight of 260.42 g/mol. Its IUPAC name is 1-[1-(1-propoxypropan-2-yloxy)propan-2-yloxy]hexane.

Molecular Properties

Compound Name1-[1-(1-propoxypropan-2-yloxy)propan-2-yloxy]hexane
PubChem CID57074955
Molecular FormulaC15H32O3
Molecular Weight260.42 g/mol
Exact Mass260.24
IUPAC Name1-[1-(1-propoxypropan-2-yloxy)propan-2-yloxy]hexane
SMILESCCCCCCOC(C)COC(C)COCCC
InChIInChI=1S/C15H32O3/c1-5-7-8-9-11-17-15(4)13-18-14(3)12-16-10-6-2/h14-15H,5-13H2,1-4H3
InChIKeyAYEBVJWLTYLNQY-UHFFFAOYSA-N
XLogP3.80
TPSA27.69 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds13
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500260.42
LogP ≤ 53.80
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

1-[1-[1-[1-(1-hexoxypropan-2-yloxy)propan-2-yloxy]propan-2-yloxy]propan-2-yloxy]decane
CID 150016958
1-[2-(2-decoxypropoxy)propoxy]decane
CID 19693399
1-(1-propoxypropan-2-yloxy)pentane
CID 154093458
1-(2-hexoxypropoxy)hexane
CID 71353992
1-[1-(1-ethoxypropan-2-yloxy)propan-2-yloxy]hexane
CID 155168253
1-(2-propoxypropoxy)pentane
CID 22002926
1-[1-(1-methoxypropan-2-yloxy)propan-2-yloxy]hexane
CID 140766817
1-[1-(1-heptoxypropan-2-yloxy)propan-2-yloxy]propan-2-ol
CID 90302179
2-[2-(2-tetradecoxypropoxy)propoxy]propan-1-ol
CID 11234638
2-(2-heptoxypropoxy)propan-1-ol
CID 90302123
2-[2-[2-[2-(2-octadecoxypropoxy)propoxy]propoxy]propoxy]propan-1-ol
CID 11478535
2-[2-[2-[2-(2-decoxypropoxy)propoxy]propoxy]propoxy]propan-1-ol
CID 139973297

Frequently Asked Questions

What is the IUPAC name of 1-[1-(1-propoxypropan-2-yloxy)propan-2-yloxy]hexane?
The IUPAC name of 1-[1-(1-propoxypropan-2-yloxy)propan-2-yloxy]hexane (CID 57074955) is 1-[1-(1-propoxypropan-2-yloxy)propan-2-yloxy]hexane.
What is the SMILES notation for 1-[1-(1-propoxypropan-2-yloxy)propan-2-yloxy]hexane?
The canonical SMILES for 1-[1-(1-propoxypropan-2-yloxy)propan-2-yloxy]hexane is CCCCCCOC(C)COC(C)COCCC.
What is the InChIKey of 1-[1-(1-propoxypropan-2-yloxy)propan-2-yloxy]hexane?
The InChIKey is AYEBVJWLTYLNQY-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H32O3/c1-5-7-8-9-11-17-15(4)13-18-14(3)12-16-10-6-2/h14-15H,5-13H2,1-4H3.
What are the key properties of 1-[1-(1-propoxypropan-2-yloxy)propan-2-yloxy]hexane?
1-[1-(1-propoxypropan-2-yloxy)propan-2-yloxy]hexane has a molecular weight of 260.42 g/mol, XLogP of 3.80, 13 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[1-(1-propoxypropan-2-yloxy)propan-2-yloxy]hexane is sourced from PubChem (CID 57074955), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).