ethane;1-methoxypropane;propane

C11H30O — CID 145001283

IUPACethane;1-methoxypropane;propane
SMILESCC.CC.CCC.CCCOC
InChIInChI=1S/C4H10O.C3H8.2C2H6/c1-3-4-5-2;1-3-2;2*1-2/h3-4H2,1-2H3;3H2,1-2H3;2*1-2H3
InChIKeyWEOJBKLORBMGMY-UHFFFAOYSA-N
MW178.36 g/mol
LogP4.51
Rot. Bonds2

About ethane;1-methoxypropane;propane

ethane;1-methoxypropane;propane (PubChem CID 145001283) has the molecular formula C11H30O and a molecular weight of 178.36 g/mol. Its IUPAC name is ethane;1-methoxypropane;propane.

Molecular Properties

Compound Nameethane;1-methoxypropane;propane
PubChem CID145001283
Molecular FormulaC11H30O
Molecular Weight178.36 g/mol
Exact Mass178.23
IUPAC Nameethane;1-methoxypropane;propane
SMILESCC.CC.CCC.CCCOC
InChIInChI=1S/C4H10O.C3H8.2C2H6/c1-3-4-5-2;1-3-2;2*1-2/h3-4H2,1-2H3;3H2,1-2H3;2*1-2H3
InChIKeyWEOJBKLORBMGMY-UHFFFAOYSA-N
XLogP4.51
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500178.36
LogP ≤ 54.51
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of ethane;1-methoxypropane;propane?
The IUPAC name of ethane;1-methoxypropane;propane (CID 145001283) is ethane;1-methoxypropane;propane.
What is the SMILES notation for ethane;1-methoxypropane;propane?
The canonical SMILES for ethane;1-methoxypropane;propane is CC.CC.CCC.CCCOC.
What is the InChIKey of ethane;1-methoxypropane;propane?
The InChIKey is WEOJBKLORBMGMY-UHFFFAOYSA-N. The full InChI is InChI=1S/C4H10O.C3H8.2C2H6/c1-3-4-5-2;1-3-2;2*1-2/h3-4H2,1-2H3;3H2,1-2H3;2*1-2H3.
What are the key properties of ethane;1-methoxypropane;propane?
ethane;1-methoxypropane;propane has a molecular weight of 178.36 g/mol, XLogP of 4.51, 2 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for ethane;1-methoxypropane;propane is sourced from PubChem (CID 145001283), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).