ethane;5-(ethoxymethyl)-3-ethyl-4,5-dihydro-1,2-oxazole;propane

C13H29NO2 — CID 143141593

IUPACethane;5-(ethoxymethyl)-3-ethyl-4,5-dihydro-1,2-oxazole;propane
SMILESCC.CCC.CCOCC1CC(CC)=NO1
InChIInChI=1S/C8H15NO2.C3H8.C2H6/c1-3-7-5-8(11-9-7)6-10-4-2;1-3-2;1-2/h8H,3-6H2,1-2H3;3H2,1-2H3;1-2H3
InChIKeyVMNFJIWQYDBOSM-UHFFFAOYSA-N
MW231.38 g/mol
LogP4.02
Rot. Bonds4

About ethane;5-(ethoxymethyl)-3-ethyl-4,5-dihydro-1,2-oxazole;propane

ethane;5-(ethoxymethyl)-3-ethyl-4,5-dihydro-1,2-oxazole;propane (PubChem CID 143141593) has the molecular formula C13H29NO2 and a molecular weight of 231.38 g/mol. Its IUPAC name is ethane;5-(ethoxymethyl)-3-ethyl-4,5-dihydro-1,2-oxazole;propane.

Molecular Properties

Compound Nameethane;5-(ethoxymethyl)-3-ethyl-4,5-dihydro-1,2-oxazole;propane
PubChem CID143141593
Molecular FormulaC13H29NO2
Molecular Weight231.38 g/mol
Exact Mass231.22
IUPAC Nameethane;5-(ethoxymethyl)-3-ethyl-4,5-dihydro-1,2-oxazole;propane
SMILESCC.CCC.CCOCC1CC(CC)=NO1
InChIInChI=1S/C8H15NO2.C3H8.C2H6/c1-3-7-5-8(11-9-7)6-10-4-2;1-3-2;1-2/h8H,3-6H2,1-2H3;3H2,1-2H3;1-2H3
InChIKeyVMNFJIWQYDBOSM-UHFFFAOYSA-N
XLogP4.02
TPSA30.82 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500231.38
LogP ≤ 54.02
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of ethane;5-(ethoxymethyl)-3-ethyl-4,5-dihydro-1,2-oxazole;propane?
The IUPAC name of ethane;5-(ethoxymethyl)-3-ethyl-4,5-dihydro-1,2-oxazole;propane (CID 143141593) is ethane;5-(ethoxymethyl)-3-ethyl-4,5-dihydro-1,2-oxazole;propane.
What is the SMILES notation for ethane;5-(ethoxymethyl)-3-ethyl-4,5-dihydro-1,2-oxazole;propane?
The canonical SMILES for ethane;5-(ethoxymethyl)-3-ethyl-4,5-dihydro-1,2-oxazole;propane is CC.CCC.CCOCC1CC(CC)=NO1.
What is the InChIKey of ethane;5-(ethoxymethyl)-3-ethyl-4,5-dihydro-1,2-oxazole;propane?
The InChIKey is VMNFJIWQYDBOSM-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H15NO2.C3H8.C2H6/c1-3-7-5-8(11-9-7)6-10-4-2;1-3-2;1-2/h8H,3-6H2,1-2H3;3H2,1-2H3;1-2H3.
What are the key properties of ethane;5-(ethoxymethyl)-3-ethyl-4,5-dihydro-1,2-oxazole;propane?
ethane;5-(ethoxymethyl)-3-ethyl-4,5-dihydro-1,2-oxazole;propane has a molecular weight of 231.38 g/mol, XLogP of 4.02, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for ethane;5-(ethoxymethyl)-3-ethyl-4,5-dihydro-1,2-oxazole;propane is sourced from PubChem (CID 143141593), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).