2-hex-2-en-2-yl-4,5-dimethyl-1,3-oxazole

C11H17NO — CID 91183788

IUPAC2-hex-2-en-2-yl-4,5-dimethyl-1,3-oxazole
SMILESCCCC=C(C)c1nc(C)c(C)o1
InChIInChI=1S/C11H17NO/c1-5-6-7-8(2)11-12-9(3)10(4)13-11/h7H,5-6H2,1-4H3
InChIKeyVDLQVKHDNSSWPV-UHFFFAOYSA-N
MW179.26 g/mol
LogP3.49
Rot. Bonds3

About 2-hex-2-en-2-yl-4,5-dimethyl-1,3-oxazole

2-hex-2-en-2-yl-4,5-dimethyl-1,3-oxazole (PubChem CID 91183788) has the molecular formula C11H17NO and a molecular weight of 179.26 g/mol. Its IUPAC name is 2-hex-2-en-2-yl-4,5-dimethyl-1,3-oxazole.

Molecular Properties

Compound Name2-hex-2-en-2-yl-4,5-dimethyl-1,3-oxazole
PubChem CID91183788
Molecular FormulaC11H17NO
Molecular Weight179.26 g/mol
Exact Mass179.13
IUPAC Name2-hex-2-en-2-yl-4,5-dimethyl-1,3-oxazole
SMILESCCCC=C(C)c1nc(C)c(C)o1
InChIInChI=1S/C11H17NO/c1-5-6-7-8(2)11-12-9(3)10(4)13-11/h7H,5-6H2,1-4H3
InChIKeyVDLQVKHDNSSWPV-UHFFFAOYSA-N
XLogP3.49
TPSA26.03 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500179.26
LogP ≤ 53.49
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 2-hex-2-en-2-yl-4,5-dimethyl-1,3-oxazole?
The IUPAC name of 2-hex-2-en-2-yl-4,5-dimethyl-1,3-oxazole (CID 91183788) is 2-hex-2-en-2-yl-4,5-dimethyl-1,3-oxazole.
What is the SMILES notation for 2-hex-2-en-2-yl-4,5-dimethyl-1,3-oxazole?
The canonical SMILES for 2-hex-2-en-2-yl-4,5-dimethyl-1,3-oxazole is CCCC=C(C)c1nc(C)c(C)o1.
What is the InChIKey of 2-hex-2-en-2-yl-4,5-dimethyl-1,3-oxazole?
The InChIKey is VDLQVKHDNSSWPV-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H17NO/c1-5-6-7-8(2)11-12-9(3)10(4)13-11/h7H,5-6H2,1-4H3.
What are the key properties of 2-hex-2-en-2-yl-4,5-dimethyl-1,3-oxazole?
2-hex-2-en-2-yl-4,5-dimethyl-1,3-oxazole has a molecular weight of 179.26 g/mol, XLogP of 3.49, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-hex-2-en-2-yl-4,5-dimethyl-1,3-oxazole is sourced from PubChem (CID 91183788), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).