5-(6,6-dimethylheptyl)-1,3-oxazole

C12H21NO — CID 59842159

IUPAC5-(6,6-dimethylheptyl)-1,3-oxazole
SMILESCC(C)(C)CCCCCc1cnco1
InChIInChI=1S/C12H21NO/c1-12(2,3)8-6-4-5-7-11-9-13-10-14-11/h9-10H,4-8H2,1-3H3
InChIKeyGXYYDZGNUQSUFB-UHFFFAOYSA-N
MW195.31 g/mol
LogP3.82
Rot. Bonds5

About 5-(6,6-dimethylheptyl)-1,3-oxazole

5-(6,6-dimethylheptyl)-1,3-oxazole (PubChem CID 59842159) has the molecular formula C12H21NO and a molecular weight of 195.31 g/mol. Its IUPAC name is 5-(6,6-dimethylheptyl)-1,3-oxazole.

Molecular Properties

Compound Name5-(6,6-dimethylheptyl)-1,3-oxazole
PubChem CID59842159
Molecular FormulaC12H21NO
Molecular Weight195.31 g/mol
Exact Mass195.16
IUPAC Name5-(6,6-dimethylheptyl)-1,3-oxazole
SMILESCC(C)(C)CCCCCc1cnco1
InChIInChI=1S/C12H21NO/c1-12(2,3)8-6-4-5-7-11-9-13-10-14-11/h9-10H,4-8H2,1-3H3
InChIKeyGXYYDZGNUQSUFB-UHFFFAOYSA-N
XLogP3.82
TPSA26.03 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500195.31
LogP ≤ 53.82
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 5-(6,6-dimethylheptyl)-1,3-oxazole?
The IUPAC name of 5-(6,6-dimethylheptyl)-1,3-oxazole (CID 59842159) is 5-(6,6-dimethylheptyl)-1,3-oxazole.
What is the SMILES notation for 5-(6,6-dimethylheptyl)-1,3-oxazole?
The canonical SMILES for 5-(6,6-dimethylheptyl)-1,3-oxazole is CC(C)(C)CCCCCc1cnco1.
What is the InChIKey of 5-(6,6-dimethylheptyl)-1,3-oxazole?
The InChIKey is GXYYDZGNUQSUFB-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H21NO/c1-12(2,3)8-6-4-5-7-11-9-13-10-14-11/h9-10H,4-8H2,1-3H3.
What are the key properties of 5-(6,6-dimethylheptyl)-1,3-oxazole?
5-(6,6-dimethylheptyl)-1,3-oxazole has a molecular weight of 195.31 g/mol, XLogP of 3.82, 5 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(6,6-dimethylheptyl)-1,3-oxazole is sourced from PubChem (CID 59842159), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).