1-methoxy-3-propoxypropane

C7H16O2 — CID 19812566

IUPAC1-methoxy-3-propoxypropane
SMILESCCCOCCCOC
InChIInChI=1S/C7H16O2/c1-3-5-9-7-4-6-8-2/h3-7H2,1-2H3
InChIKeyBZDFPWGLIQUXIT-UHFFFAOYSA-N
MW132.20 g/mol
LogP1.45
Rot. Bonds6

About 1-methoxy-3-propoxypropane

1-methoxy-3-propoxypropane (PubChem CID 19812566) has the molecular formula C7H16O2 and a molecular weight of 132.20 g/mol. Its IUPAC name is 1-methoxy-3-propoxypropane.

Molecular Properties

Compound Name1-methoxy-3-propoxypropane
PubChem CID19812566
Molecular FormulaC7H16O2
Molecular Weight132.20 g/mol
Exact Mass132.12
IUPAC Name1-methoxy-3-propoxypropane
SMILESCCCOCCCOC
InChIInChI=1S/C7H16O2/c1-3-5-9-7-4-6-8-2/h3-7H2,1-2H3
InChIKeyBZDFPWGLIQUXIT-UHFFFAOYSA-N
XLogP1.45
TPSA18.46 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500132.20
LogP ≤ 51.45
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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Frequently Asked Questions

What is the IUPAC name of 1-methoxy-3-propoxypropane?
The IUPAC name of 1-methoxy-3-propoxypropane (CID 19812566) is 1-methoxy-3-propoxypropane.
What is the SMILES notation for 1-methoxy-3-propoxypropane?
The canonical SMILES for 1-methoxy-3-propoxypropane is CCCOCCCOC.
What is the InChIKey of 1-methoxy-3-propoxypropane?
The InChIKey is BZDFPWGLIQUXIT-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H16O2/c1-3-5-9-7-4-6-8-2/h3-7H2,1-2H3.
What are the key properties of 1-methoxy-3-propoxypropane?
1-methoxy-3-propoxypropane has a molecular weight of 132.20 g/mol, XLogP of 1.45, 6 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-methoxy-3-propoxypropane is sourced from PubChem (CID 19812566), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).