1-methoxy-1-propoxypropane

C7H16O2 — CID 19963975

IUPAC1-methoxy-1-propoxypropane
SMILESCCCOC(CC)OC
InChIInChI=1S/C7H16O2/c1-4-6-9-7(5-2)8-3/h7H,4-6H2,1-3H3
InChIKeyQBJONIZMVWIZON-UHFFFAOYSA-N
MW132.20 g/mol
LogP1.80
Rot. Bonds5

About 1-methoxy-1-propoxypropane

1-methoxy-1-propoxypropane (PubChem CID 19963975) has the molecular formula C7H16O2 and a molecular weight of 132.20 g/mol. Its IUPAC name is 1-methoxy-1-propoxypropane.

Molecular Properties

Compound Name1-methoxy-1-propoxypropane
PubChem CID19963975
Molecular FormulaC7H16O2
Molecular Weight132.20 g/mol
Exact Mass132.12
IUPAC Name1-methoxy-1-propoxypropane
SMILESCCCOC(CC)OC
InChIInChI=1S/C7H16O2/c1-4-6-9-7(5-2)8-3/h7H,4-6H2,1-3H3
InChIKeyQBJONIZMVWIZON-UHFFFAOYSA-N
XLogP1.80
TPSA18.46 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500132.20
LogP ≤ 51.80
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'het-C-het_not_in_ring', 'substructure': 'N/A'}

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Related Compounds

1-methoxy-1-(2-methoxyethoxy)propane
CID 139725364
2-(1-methoxypropoxy)ethanamine
CID 147503736
1-methoxy-1,3-dipropoxypropane
CID 54152160
1-methoxy-1-propoxyhex-3-ene
CID 141349600
4-methoxy-4-propoxybutan-1-amine
CID 173191706
1-(1-propoxypropoxy)hexane
CID 89482622
3-[2-(1-methoxypropoxy)ethylsilyl]propan-1-amine
CID 174968471
ethane;4-(1-propoxypropoxy)but-1-yne
CID 144667443
1-propoxypropyl 2-cyano-2-methoxyacetate
CID 20514541
(2R,3R)-2,3-dipropoxybutane
CID 118445331
deuterium monohydride;bis(1,1-dimethoxypropane);hydrazine;propane
CID 160777115
1-propoxypropane-1-thiol
CID 57215222

Frequently Asked Questions

What is the IUPAC name of 1-methoxy-1-propoxypropane?
The IUPAC name of 1-methoxy-1-propoxypropane (CID 19963975) is 1-methoxy-1-propoxypropane.
What is the SMILES notation for 1-methoxy-1-propoxypropane?
The canonical SMILES for 1-methoxy-1-propoxypropane is CCCOC(CC)OC.
What is the InChIKey of 1-methoxy-1-propoxypropane?
The InChIKey is QBJONIZMVWIZON-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H16O2/c1-4-6-9-7(5-2)8-3/h7H,4-6H2,1-3H3.
What are the key properties of 1-methoxy-1-propoxypropane?
1-methoxy-1-propoxypropane has a molecular weight of 132.20 g/mol, XLogP of 1.80, 5 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-methoxy-1-propoxypropane is sourced from PubChem (CID 19963975), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).