1-methoxypropane

C4H10O — CID 11182

IUPAC1-methoxypropane
SMILESCCCOC
InChIInChI=1S/C4H10O/c1-3-4-5-2/h3-4H2,1-2H3
InChIKeyVNKYTQGIUYNRMY-UHFFFAOYSA-N
MW74.12 g/mol
LogP1.04
Rot. Bonds2

About 1-methoxypropane

1-methoxypropane (PubChem CID 11182) has the molecular formula C4H10O and a molecular weight of 74.12 g/mol. Its IUPAC name is 1-methoxypropane.

Molecular Properties

Compound Name1-methoxypropane
PubChem CID11182
Molecular FormulaC4H10O
Molecular Weight74.12 g/mol
Exact Mass74.07
IUPAC Name1-methoxypropane
SMILESCCCOC
InChIInChI=1S/C4H10O/c1-3-4-5-2/h3-4H2,1-2H3
InChIKeyVNKYTQGIUYNRMY-UHFFFAOYSA-N
XLogP1.04
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms5
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 50074.12
LogP ≤ 51.04
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 1-methoxypropane?
The IUPAC name of 1-methoxypropane (CID 11182) is 1-methoxypropane.
What is the SMILES notation for 1-methoxypropane?
The canonical SMILES for 1-methoxypropane is CCCOC.
What is the InChIKey of 1-methoxypropane?
The InChIKey is VNKYTQGIUYNRMY-UHFFFAOYSA-N. The full InChI is InChI=1S/C4H10O/c1-3-4-5-2/h3-4H2,1-2H3.
What are the key properties of 1-methoxypropane?
1-methoxypropane has a molecular weight of 74.12 g/mol, XLogP of 1.04, 2 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-methoxypropane is sourced from PubChem (CID 11182), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).