5-[(E)-2-(2,6,6-trimethylcyclohex-2-en-1-yl)ethenyl]-1,2-oxazole

C14H19NO — CID 10703996

IUPAC5-[(E)-2-(2,6,6-trimethylcyclohex-2-en-1-yl)ethenyl]-1,2-oxazole
SMILESCC1=CCCC(C)(C)C1/C=C/c1ccno1
InChIInChI=1S/C14H19NO/c1-11-5-4-9-14(2,3)13(11)7-6-12-8-10-15-16-12/h5-8,10,13H,4,9H2,1-3H3/b7-6+
InChIKeyLBLSJVJDWYLRHN-VOTSOKGWSA-N
MW217.31 g/mol
LogP4.07
Rot. Bonds2

About 5-[(E)-2-(2,6,6-trimethylcyclohex-2-en-1-yl)ethenyl]-1,2-oxazole

5-[(E)-2-(2,6,6-trimethylcyclohex-2-en-1-yl)ethenyl]-1,2-oxazole (PubChem CID 10703996) has the molecular formula C14H19NO and a molecular weight of 217.31 g/mol. Its IUPAC name is 5-[(E)-2-(2,6,6-trimethylcyclohex-2-en-1-yl)ethenyl]-1,2-oxazole.

Molecular Properties

Compound Name5-[(E)-2-(2,6,6-trimethylcyclohex-2-en-1-yl)ethenyl]-1,2-oxazole
PubChem CID10703996
Molecular FormulaC14H19NO
Molecular Weight217.31 g/mol
Exact Mass217.15
IUPAC Name5-[(E)-2-(2,6,6-trimethylcyclohex-2-en-1-yl)ethenyl]-1,2-oxazole
SMILESCC1=CCCC(C)(C)C1/C=C/c1ccno1
InChIInChI=1S/C14H19NO/c1-11-5-4-9-14(2,3)13(11)7-6-12-8-10-15-16-12/h5-8,10,13H,4,9H2,1-3H3/b7-6+
InChIKeyLBLSJVJDWYLRHN-VOTSOKGWSA-N
XLogP4.07
TPSA26.03 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500217.31
LogP ≤ 54.07
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 5-[(E)-2-(2,6,6-trimethylcyclohex-2-en-1-yl)ethenyl]-1,2-oxazole?
The IUPAC name of 5-[(E)-2-(2,6,6-trimethylcyclohex-2-en-1-yl)ethenyl]-1,2-oxazole (CID 10703996) is 5-[(E)-2-(2,6,6-trimethylcyclohex-2-en-1-yl)ethenyl]-1,2-oxazole.
What is the SMILES notation for 5-[(E)-2-(2,6,6-trimethylcyclohex-2-en-1-yl)ethenyl]-1,2-oxazole?
The canonical SMILES for 5-[(E)-2-(2,6,6-trimethylcyclohex-2-en-1-yl)ethenyl]-1,2-oxazole is CC1=CCCC(C)(C)C1/C=C/c1ccno1.
What is the InChIKey of 5-[(E)-2-(2,6,6-trimethylcyclohex-2-en-1-yl)ethenyl]-1,2-oxazole?
The InChIKey is LBLSJVJDWYLRHN-VOTSOKGWSA-N. The full InChI is InChI=1S/C14H19NO/c1-11-5-4-9-14(2,3)13(11)7-6-12-8-10-15-16-12/h5-8,10,13H,4,9H2,1-3H3/b7-6+.
What are the key properties of 5-[(E)-2-(2,6,6-trimethylcyclohex-2-en-1-yl)ethenyl]-1,2-oxazole?
5-[(E)-2-(2,6,6-trimethylcyclohex-2-en-1-yl)ethenyl]-1,2-oxazole has a molecular weight of 217.31 g/mol, XLogP of 4.07, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[(E)-2-(2,6,6-trimethylcyclohex-2-en-1-yl)ethenyl]-1,2-oxazole is sourced from PubChem (CID 10703996), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).