decane;2-methyl-1,3-oxazole

C14H27NO — CID 143643787

IUPACdecane;2-methyl-1,3-oxazole
SMILESCCCCCCCCCC.Cc1ncco1
InChIInChI=1S/C10H22.C4H5NO/c1-3-5-7-9-10-8-6-4-2;1-4-5-2-3-6-4/h3-10H2,1-2H3;2-3H,1H3
InChIKeyPARXFESRYLJWOQ-UHFFFAOYSA-N
MW225.38 g/mol
LogP5.13
Rot. Bonds7

About decane;2-methyl-1,3-oxazole

decane;2-methyl-1,3-oxazole (PubChem CID 143643787) has the molecular formula C14H27NO and a molecular weight of 225.38 g/mol. Its IUPAC name is decane;2-methyl-1,3-oxazole.

Molecular Properties

Compound Namedecane;2-methyl-1,3-oxazole
PubChem CID143643787
Molecular FormulaC14H27NO
Molecular Weight225.38 g/mol
Exact Mass225.21
IUPAC Namedecane;2-methyl-1,3-oxazole
SMILESCCCCCCCCCC.Cc1ncco1
InChIInChI=1S/C10H22.C4H5NO/c1-3-5-7-9-10-8-6-4-2;1-4-5-2-3-6-4/h3-10H2,1-2H3;2-3H,1H3
InChIKeyPARXFESRYLJWOQ-UHFFFAOYSA-N
XLogP5.13
TPSA26.03 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms16
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500225.38
LogP ≤ 55.13
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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Related Compounds

2-undecan-5-yl-1,3-oxazole
CID 134461094
2-(5-methylundecan-5-yl)-1,3-oxazole
CID 146378601
2-(dideuteriomethyl)-1,3-oxazole
CID 167525558
2-(4-heptylphenyl)-1,3-oxazole
CID 59546194
undecane chloride
CID 19736895
CID 18986095
CID 18986095
2-(4-butoxyphenyl)-1,3-oxazole
CID 69161830
2-methyl-5-octadecyl-1H-imidazole;hydrobromide
CID 174843690
4-methyl-N-octylpyrimidin-2-amine
CID 115568939
1-(2-methylpyrimidin-4-yl)tridecan-1-ol
CID 115528032
1-(2-methylpyrimidin-4-yl)octan-1-ol
CID 115527924
butyl 1,3-oxazole-2-carboxylate
CID 165359188

Frequently Asked Questions

What is the IUPAC name of decane;2-methyl-1,3-oxazole?
The IUPAC name of decane;2-methyl-1,3-oxazole (CID 143643787) is decane;2-methyl-1,3-oxazole.
What is the SMILES notation for decane;2-methyl-1,3-oxazole?
The canonical SMILES for decane;2-methyl-1,3-oxazole is CCCCCCCCCC.Cc1ncco1.
What is the InChIKey of decane;2-methyl-1,3-oxazole?
The InChIKey is PARXFESRYLJWOQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H22.C4H5NO/c1-3-5-7-9-10-8-6-4-2;1-4-5-2-3-6-4/h3-10H2,1-2H3;2-3H,1H3.
What are the key properties of decane;2-methyl-1,3-oxazole?
decane;2-methyl-1,3-oxazole has a molecular weight of 225.38 g/mol, XLogP of 5.13, 7 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for decane;2-methyl-1,3-oxazole is sourced from PubChem (CID 143643787), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).