5-methyl-6-undecan-2-yl-3,4-dihydro-2H-1,4-oxazine

C16H31NO — CID 71088991

IUPAC5-methyl-6-undecan-2-yl-3,4-dihydro-2H-1,4-oxazine
SMILESCCCCCCCCCC(C)C1=C(C)NCCO1
InChIInChI=1S/C16H31NO/c1-4-5-6-7-8-9-10-11-14(2)16-15(3)17-12-13-18-16/h14,17H,4-13H2,1-3H3
InChIKeyXGQGNVQZTFMCPU-UHFFFAOYSA-N
MW253.43 g/mol
LogP4.61
Rot. Bonds9

About 5-methyl-6-undecan-2-yl-3,4-dihydro-2H-1,4-oxazine

5-methyl-6-undecan-2-yl-3,4-dihydro-2H-1,4-oxazine (PubChem CID 71088991) has the molecular formula C16H31NO and a molecular weight of 253.43 g/mol. Its IUPAC name is 5-methyl-6-undecan-2-yl-3,4-dihydro-2H-1,4-oxazine.

Molecular Properties

Compound Name5-methyl-6-undecan-2-yl-3,4-dihydro-2H-1,4-oxazine
PubChem CID71088991
Molecular FormulaC16H31NO
Molecular Weight253.43 g/mol
Exact Mass253.24
IUPAC Name5-methyl-6-undecan-2-yl-3,4-dihydro-2H-1,4-oxazine
SMILESCCCCCCCCCC(C)C1=C(C)NCCO1
InChIInChI=1S/C16H31NO/c1-4-5-6-7-8-9-10-11-14(2)16-15(3)17-12-13-18-16/h14,17H,4-13H2,1-3H3
InChIKeyXGQGNVQZTFMCPU-UHFFFAOYSA-N
XLogP4.61
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds9
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500253.43
LogP ≤ 54.61
H-Bond Donors ≤ 51
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-methyl-6-undecan-2-yl-3,4-dihydro-2H-1,4-oxazine?
The IUPAC name of 5-methyl-6-undecan-2-yl-3,4-dihydro-2H-1,4-oxazine (CID 71088991) is 5-methyl-6-undecan-2-yl-3,4-dihydro-2H-1,4-oxazine.
What is the SMILES notation for 5-methyl-6-undecan-2-yl-3,4-dihydro-2H-1,4-oxazine?
The canonical SMILES for 5-methyl-6-undecan-2-yl-3,4-dihydro-2H-1,4-oxazine is CCCCCCCCCC(C)C1=C(C)NCCO1.
What is the InChIKey of 5-methyl-6-undecan-2-yl-3,4-dihydro-2H-1,4-oxazine?
The InChIKey is XGQGNVQZTFMCPU-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H31NO/c1-4-5-6-7-8-9-10-11-14(2)16-15(3)17-12-13-18-16/h14,17H,4-13H2,1-3H3.
What are the key properties of 5-methyl-6-undecan-2-yl-3,4-dihydro-2H-1,4-oxazine?
5-methyl-6-undecan-2-yl-3,4-dihydro-2H-1,4-oxazine has a molecular weight of 253.43 g/mol, XLogP of 4.61, 9 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-methyl-6-undecan-2-yl-3,4-dihydro-2H-1,4-oxazine is sourced from PubChem (CID 71088991), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).