1-ethoxypropane;1-propan-2-yloxypropane

C11H26O2 — CID 171659153

IUPAC1-ethoxypropane;1-propan-2-yloxypropane
SMILESCCCOC(C)C.CCCOCC
InChIInChI=1S/C6H14O.C5H12O/c1-4-5-7-6(2)3;1-3-5-6-4-2/h6H,4-5H2,1-3H3;3-5H2,1-2H3
InChIKeySAUUUYXGAKSYGP-UHFFFAOYSA-N
MW190.33 g/mol
LogP3.25
Rot. Bonds6

About 1-ethoxypropane;1-propan-2-yloxypropane

1-ethoxypropane;1-propan-2-yloxypropane (PubChem CID 171659153) has the molecular formula C11H26O2 and a molecular weight of 190.33 g/mol. Its IUPAC name is 1-ethoxypropane;1-propan-2-yloxypropane.

Molecular Properties

Compound Name1-ethoxypropane;1-propan-2-yloxypropane
PubChem CID171659153
Molecular FormulaC11H26O2
Molecular Weight190.33 g/mol
Exact Mass190.19
IUPAC Name1-ethoxypropane;1-propan-2-yloxypropane
SMILESCCCOC(C)C.CCCOCC
InChIInChI=1S/C6H14O.C5H12O/c1-4-5-7-6(2)3;1-3-5-6-4-2/h6H,4-5H2,1-3H3;3-5H2,1-2H3
InChIKeySAUUUYXGAKSYGP-UHFFFAOYSA-N
XLogP3.25
TPSA18.46 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500190.33
LogP ≤ 53.25
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

2-[2-(2-propan-2-yloxyethoxy)ethoxy]propane;1-[2-(2-propoxyethoxy)ethoxy]propane
CID 162194347
1-[2-[2-(2-propan-2-yloxyethoxy)ethoxy]ethoxy]propane
CID 130291288
1-ethoxypropane;methane
CID 158784820
1-[2-[2-[2-[2-[2-(2-ethoxyethoxy)ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]propane
CID 88861501
chloromercury;1-ethoxypropane
CID 175272647
1-ethoxy-2-methylpropane;1-propoxypropane
CID 174535854
(2R,3R)-2,3-dipropoxybutane
CID 118445331
2-[2-[2-[2-[2-[2-(2-propan-2-yloxyethoxy)ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]propane
CID 87184275
1-ethoxy-3-[methyl(2-propan-2-yloxyethyl)amino]propan-2-ol
CID 80710339
1-propan-2-yloxybutane;zirconium
CID 174617524
methane;1-propan-2-yloxybutane
CID 158518476
1-[2-(2-propan-2-yloxyethoxy)ethoxy]butane
CID 71356467

Frequently Asked Questions

What is the IUPAC name of 1-ethoxypropane;1-propan-2-yloxypropane?
The IUPAC name of 1-ethoxypropane;1-propan-2-yloxypropane (CID 171659153) is 1-ethoxypropane;1-propan-2-yloxypropane.
What is the SMILES notation for 1-ethoxypropane;1-propan-2-yloxypropane?
The canonical SMILES for 1-ethoxypropane;1-propan-2-yloxypropane is CCCOC(C)C.CCCOCC.
What is the InChIKey of 1-ethoxypropane;1-propan-2-yloxypropane?
The InChIKey is SAUUUYXGAKSYGP-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H14O.C5H12O/c1-4-5-7-6(2)3;1-3-5-6-4-2/h6H,4-5H2,1-3H3;3-5H2,1-2H3.
What are the key properties of 1-ethoxypropane;1-propan-2-yloxypropane?
1-ethoxypropane;1-propan-2-yloxypropane has a molecular weight of 190.33 g/mol, XLogP of 3.25, 6 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-ethoxypropane;1-propan-2-yloxypropane is sourced from PubChem (CID 171659153), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).