1-methoxypropane;propane

C7H18O — CID 91315238

IUPAC1-methoxypropane;propane
SMILESCCC.CCCOC
InChIInChI=1S/C4H10O.C3H8/c1-3-4-5-2;1-3-2/h3-4H2,1-2H3;3H2,1-2H3
InChIKeyUJVARJNLPPEPPN-UHFFFAOYSA-N
MW118.22 g/mol
LogP2.46
Rot. Bonds2

About 1-methoxypropane;propane

1-methoxypropane;propane (PubChem CID 91315238) has the molecular formula C7H18O and a molecular weight of 118.22 g/mol. Its IUPAC name is 1-methoxypropane;propane.

Molecular Properties

Compound Name1-methoxypropane;propane
PubChem CID91315238
Molecular FormulaC7H18O
Molecular Weight118.22 g/mol
Exact Mass118.14
IUPAC Name1-methoxypropane;propane
SMILESCCC.CCCOC
InChIInChI=1S/C4H10O.C3H8/c1-3-4-5-2;1-3-2/h3-4H2,1-2H3;3H2,1-2H3
InChIKeyUJVARJNLPPEPPN-UHFFFAOYSA-N
XLogP2.46
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms8
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500118.22
LogP ≤ 52.46
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 1-methoxypropane;propane?
The IUPAC name of 1-methoxypropane;propane (CID 91315238) is 1-methoxypropane;propane.
What is the SMILES notation for 1-methoxypropane;propane?
The canonical SMILES for 1-methoxypropane;propane is CCC.CCCOC.
What is the InChIKey of 1-methoxypropane;propane?
The InChIKey is UJVARJNLPPEPPN-UHFFFAOYSA-N. The full InChI is InChI=1S/C4H10O.C3H8/c1-3-4-5-2;1-3-2/h3-4H2,1-2H3;3H2,1-2H3.
What are the key properties of 1-methoxypropane;propane?
1-methoxypropane;propane has a molecular weight of 118.22 g/mol, XLogP of 2.46, 2 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-methoxypropane;propane is sourced from PubChem (CID 91315238), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).