5-methyl-3-(5-methyl-1,2-oxazol-3-yl)hexanal

C11H17NO2 — CID 83830998

IUPAC5-methyl-3-(5-methyl-1,2-oxazol-3-yl)hexanal
SMILESCc1cc(C(CC=O)CC(C)C)no1
InChIInChI=1S/C11H17NO2/c1-8(2)6-10(4-5-13)11-7-9(3)14-12-11/h5,7-8,10H,4,6H2,1-3H3
InChIKeySXOBSQXJFUCXQS-UHFFFAOYSA-N
MW195.26 g/mol
LogP2.70
Rot. Bonds5

About 5-methyl-3-(5-methyl-1,2-oxazol-3-yl)hexanal

5-methyl-3-(5-methyl-1,2-oxazol-3-yl)hexanal (PubChem CID 83830998) has the molecular formula C11H17NO2 and a molecular weight of 195.26 g/mol. Its IUPAC name is 5-methyl-3-(5-methyl-1,2-oxazol-3-yl)hexanal.

Molecular Properties

Compound Name5-methyl-3-(5-methyl-1,2-oxazol-3-yl)hexanal
PubChem CID83830998
Molecular FormulaC11H17NO2
Molecular Weight195.26 g/mol
Exact Mass195.13
IUPAC Name5-methyl-3-(5-methyl-1,2-oxazol-3-yl)hexanal
SMILESCc1cc(C(CC=O)CC(C)C)no1
InChIInChI=1S/C11H17NO2/c1-8(2)6-10(4-5-13)11-7-9(3)14-12-11/h5,7-8,10H,4,6H2,1-3H3
InChIKeySXOBSQXJFUCXQS-UHFFFAOYSA-N
XLogP2.70
TPSA43.10 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500195.26
LogP ≤ 52.70
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 5-methyl-3-(5-methyl-1,2-oxazol-3-yl)hexanal?
The IUPAC name of 5-methyl-3-(5-methyl-1,2-oxazol-3-yl)hexanal (CID 83830998) is 5-methyl-3-(5-methyl-1,2-oxazol-3-yl)hexanal.
What is the SMILES notation for 5-methyl-3-(5-methyl-1,2-oxazol-3-yl)hexanal?
The canonical SMILES for 5-methyl-3-(5-methyl-1,2-oxazol-3-yl)hexanal is Cc1cc(C(CC=O)CC(C)C)no1.
What is the InChIKey of 5-methyl-3-(5-methyl-1,2-oxazol-3-yl)hexanal?
The InChIKey is SXOBSQXJFUCXQS-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H17NO2/c1-8(2)6-10(4-5-13)11-7-9(3)14-12-11/h5,7-8,10H,4,6H2,1-3H3.
What are the key properties of 5-methyl-3-(5-methyl-1,2-oxazol-3-yl)hexanal?
5-methyl-3-(5-methyl-1,2-oxazol-3-yl)hexanal has a molecular weight of 195.26 g/mol, XLogP of 2.70, 5 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-methyl-3-(5-methyl-1,2-oxazol-3-yl)hexanal is sourced from PubChem (CID 83830998), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).