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

C13H28O3 — CID 140766817

IUPAC1-[1-(1-methoxypropan-2-yloxy)propan-2-yloxy]hexane
SMILESCCCCCCOC(C)COC(C)COC
InChIInChI=1S/C13H28O3/c1-5-6-7-8-9-15-13(3)11-16-12(2)10-14-4/h12-13H,5-11H2,1-4H3
InChIKeyAZSMPWFFINVHAF-UHFFFAOYSA-N
MW232.36 g/mol
LogP3.02
Rot. Bonds11

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

1-[1-(1-methoxypropan-2-yloxy)propan-2-yloxy]hexane (PubChem CID 140766817) has the molecular formula C13H28O3 and a molecular weight of 232.36 g/mol. Its IUPAC name is 1-[1-(1-methoxypropan-2-yloxy)propan-2-yloxy]hexane.

Molecular Properties

Compound Name1-[1-(1-methoxypropan-2-yloxy)propan-2-yloxy]hexane
PubChem CID140766817
Molecular FormulaC13H28O3
Molecular Weight232.36 g/mol
Exact Mass232.20
IUPAC Name1-[1-(1-methoxypropan-2-yloxy)propan-2-yloxy]hexane
SMILESCCCCCCOC(C)COC(C)COC
InChIInChI=1S/C13H28O3/c1-5-6-7-8-9-15-13(3)11-16-12(2)10-14-4/h12-13H,5-11H2,1-4H3
InChIKeyAZSMPWFFINVHAF-UHFFFAOYSA-N
XLogP3.02
TPSA27.69 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds11
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500232.36
LogP ≤ 53.02
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
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
1-[1-(1-ethoxypropan-2-yloxy)propan-2-yloxy]hexane
CID 155168253
2-(2-heptoxypropoxy)propan-1-ol
CID 90302123
1-[1-(1-propoxypropan-2-yloxy)propan-2-yloxy]hexane
CID 57074955
2-[2-(2-tetradecoxypropoxy)propoxy]propan-1-ol
CID 11234638
2-[2-(2-hexoxypropoxy)propoxy]propan-1-ol
CID 87247027
1-methoxy-2-(2-methoxypropoxy)propane;pentane
CID 118376955
1-(2-hexoxypropoxy)hexane
CID 71353992
2-(2-heptoxypropoxy)propyl acetate
CID 155100621

Frequently Asked Questions

What is the IUPAC name of 1-[1-(1-methoxypropan-2-yloxy)propan-2-yloxy]hexane?
The IUPAC name of 1-[1-(1-methoxypropan-2-yloxy)propan-2-yloxy]hexane (CID 140766817) is 1-[1-(1-methoxypropan-2-yloxy)propan-2-yloxy]hexane.
What is the SMILES notation for 1-[1-(1-methoxypropan-2-yloxy)propan-2-yloxy]hexane?
The canonical SMILES for 1-[1-(1-methoxypropan-2-yloxy)propan-2-yloxy]hexane is CCCCCCOC(C)COC(C)COC.
What is the InChIKey of 1-[1-(1-methoxypropan-2-yloxy)propan-2-yloxy]hexane?
The InChIKey is AZSMPWFFINVHAF-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H28O3/c1-5-6-7-8-9-15-13(3)11-16-12(2)10-14-4/h12-13H,5-11H2,1-4H3.
What are the key properties of 1-[1-(1-methoxypropan-2-yloxy)propan-2-yloxy]hexane?
1-[1-(1-methoxypropan-2-yloxy)propan-2-yloxy]hexane has a molecular weight of 232.36 g/mol, XLogP of 3.02, 11 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[1-(1-methoxypropan-2-yloxy)propan-2-yloxy]hexane is sourced from PubChem (CID 140766817), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).