benzene;methoxymethane;propane

C11H20O — CID 91444865

IUPACbenzene;methoxymethane;propane
SMILESCCC.COC.c1ccccc1
InChIInChI=1S/C6H6.C3H8.C2H6O/c1-2-4-6-5-3-1;2*1-3-2/h1-6H;3H2,1-2H3;1-2H3
InChIKeyCVDMXHIRXOUWKJ-UHFFFAOYSA-N
MW168.28 g/mol
LogP3.37
Rot. Bonds

About benzene;methoxymethane;propane

benzene;methoxymethane;propane (PubChem CID 91444865) has the molecular formula C11H20O and a molecular weight of 168.28 g/mol. Its IUPAC name is benzene;methoxymethane;propane.

Molecular Properties

Compound Namebenzene;methoxymethane;propane
PubChem CID91444865
Molecular FormulaC11H20O
Molecular Weight168.28 g/mol
Exact Mass168.15
IUPAC Namebenzene;methoxymethane;propane
SMILESCCC.COC.c1ccccc1
InChIInChI=1S/C6H6.C3H8.C2H6O/c1-2-4-6-5-3-1;2*1-3-2/h1-6H;3H2,1-2H3;1-2H3
InChIKeyCVDMXHIRXOUWKJ-UHFFFAOYSA-N
XLogP3.37
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500168.28
LogP ≤ 53.37
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of benzene;methoxymethane;propane?
The IUPAC name of benzene;methoxymethane;propane (CID 91444865) is benzene;methoxymethane;propane.
What is the SMILES notation for benzene;methoxymethane;propane?
The canonical SMILES for benzene;methoxymethane;propane is CCC.COC.c1ccccc1.
What is the InChIKey of benzene;methoxymethane;propane?
The InChIKey is CVDMXHIRXOUWKJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H6.C3H8.C2H6O/c1-2-4-6-5-3-1;2*1-3-2/h1-6H;3H2,1-2H3;1-2H3.
What are the key properties of benzene;methoxymethane;propane?
benzene;methoxymethane;propane has a molecular weight of 168.28 g/mol, XLogP of 3.37, 0 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for benzene;methoxymethane;propane is sourced from PubChem (CID 91444865), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).