1-(1-propoxypropan-2-yloxy)pentane

C11H24O2 — CID 154093458

IUPAC1-(1-propoxypropan-2-yloxy)pentane
SMILESCCCCCOC(C)COCCC
InChIInChI=1S/C11H24O2/c1-4-6-7-9-13-11(3)10-12-8-5-2/h11H,4-10H2,1-3H3
InChIKeyAQWRIQQOBJAALB-UHFFFAOYSA-N
MW188.31 g/mol
LogP3.01
Rot. Bonds9

About 1-(1-propoxypropan-2-yloxy)pentane

1-(1-propoxypropan-2-yloxy)pentane (PubChem CID 154093458) has the molecular formula C11H24O2 and a molecular weight of 188.31 g/mol. Its IUPAC name is 1-(1-propoxypropan-2-yloxy)pentane.

Molecular Properties

Compound Name1-(1-propoxypropan-2-yloxy)pentane
PubChem CID154093458
Molecular FormulaC11H24O2
Molecular Weight188.31 g/mol
Exact Mass188.18
IUPAC Name1-(1-propoxypropan-2-yloxy)pentane
SMILESCCCCCOC(C)COCCC
InChIInChI=1S/C11H24O2/c1-4-6-7-9-13-11(3)10-12-8-5-2/h11H,4-10H2,1-3H3
InChIKeyAQWRIQQOBJAALB-UHFFFAOYSA-N
XLogP3.01
TPSA18.46 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds9
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500188.31
LogP ≤ 53.01
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

1-[1-(1-propoxypropan-2-yloxy)propan-2-yloxy]hexane
CID 57074955
1-(2-propoxypropoxy)pentane
CID 22002926
1-(2-hexoxypropoxy)hexane
CID 71353992
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-(1-ethoxypropan-2-yloxy)propan-2-yloxy]hexane
CID 155168253
2-propoxy-1-[2-(2-propoxypropoxy)ethoxy]propane
CID 87065837
2-(1-octoxypropan-2-yloxy)ethanol
CID 59000352
14-(2-tetradec-9-enoxypropoxy)tetradec-5-ene
CID 123583402
2-(1-propoxypropan-2-yloxy)ethanol
CID 59676189
1-[1-(1-methoxypropan-2-yloxy)propan-2-yloxy]hexane
CID 140766817
1-(1-hexoxypropan-2-yloxy)propan-2-ol
CID 22182175

Frequently Asked Questions

What is the IUPAC name of 1-(1-propoxypropan-2-yloxy)pentane?
The IUPAC name of 1-(1-propoxypropan-2-yloxy)pentane (CID 154093458) is 1-(1-propoxypropan-2-yloxy)pentane.
What is the SMILES notation for 1-(1-propoxypropan-2-yloxy)pentane?
The canonical SMILES for 1-(1-propoxypropan-2-yloxy)pentane is CCCCCOC(C)COCCC.
What is the InChIKey of 1-(1-propoxypropan-2-yloxy)pentane?
The InChIKey is AQWRIQQOBJAALB-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H24O2/c1-4-6-7-9-13-11(3)10-12-8-5-2/h11H,4-10H2,1-3H3.
What are the key properties of 1-(1-propoxypropan-2-yloxy)pentane?
1-(1-propoxypropan-2-yloxy)pentane has a molecular weight of 188.31 g/mol, XLogP of 3.01, 9 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(1-propoxypropan-2-yloxy)pentane is sourced from PubChem (CID 154093458), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).