butane;ethane;3,4,5-trimethyl-1,2-oxazole

C14H31NO — CID 142187309

IUPACbutane;ethane;3,4,5-trimethyl-1,2-oxazole
SMILESCC.CC.CCCC.Cc1noc(C)c1C
InChIInChI=1S/C6H9NO.C4H10.2C2H6/c1-4-5(2)7-8-6(4)3;1-3-4-2;2*1-2/h1-3H3;3-4H2,1-2H3;2*1-2H3
InChIKeyOUGIGQMOQUIRHR-UHFFFAOYSA-N
MW229.41 g/mol
LogP5.46
Rot. Bonds1

About butane;ethane;3,4,5-trimethyl-1,2-oxazole

butane;ethane;3,4,5-trimethyl-1,2-oxazole (PubChem CID 142187309) has the molecular formula C14H31NO and a molecular weight of 229.41 g/mol. Its IUPAC name is butane;ethane;3,4,5-trimethyl-1,2-oxazole.

Molecular Properties

Compound Namebutane;ethane;3,4,5-trimethyl-1,2-oxazole
PubChem CID142187309
Molecular FormulaC14H31NO
Molecular Weight229.41 g/mol
Exact Mass229.24
IUPAC Namebutane;ethane;3,4,5-trimethyl-1,2-oxazole
SMILESCC.CC.CCCC.Cc1noc(C)c1C
InChIInChI=1S/C6H9NO.C4H10.2C2H6/c1-4-5(2)7-8-6(4)3;1-3-4-2;2*1-2/h1-3H3;3-4H2,1-2H3;2*1-2H3
InChIKeyOUGIGQMOQUIRHR-UHFFFAOYSA-N
XLogP5.46
TPSA26.03 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms16
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500229.41
LogP ≤ 55.46
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of butane;ethane;3,4,5-trimethyl-1,2-oxazole?
The IUPAC name of butane;ethane;3,4,5-trimethyl-1,2-oxazole (CID 142187309) is butane;ethane;3,4,5-trimethyl-1,2-oxazole.
What is the SMILES notation for butane;ethane;3,4,5-trimethyl-1,2-oxazole?
The canonical SMILES for butane;ethane;3,4,5-trimethyl-1,2-oxazole is CC.CC.CCCC.Cc1noc(C)c1C.
What is the InChIKey of butane;ethane;3,4,5-trimethyl-1,2-oxazole?
The InChIKey is OUGIGQMOQUIRHR-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H9NO.C4H10.2C2H6/c1-4-5(2)7-8-6(4)3;1-3-4-2;2*1-2/h1-3H3;3-4H2,1-2H3;2*1-2H3.
What are the key properties of butane;ethane;3,4,5-trimethyl-1,2-oxazole?
butane;ethane;3,4,5-trimethyl-1,2-oxazole has a molecular weight of 229.41 g/mol, XLogP of 5.46, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for butane;ethane;3,4,5-trimethyl-1,2-oxazole is sourced from PubChem (CID 142187309), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).